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6-methyl-3-pyridinol
- Family: Plantae - Asteraceae
- Kingdom: Plantae
- Class: Pyridine
| Canonical Smiles | Cc1ccc(cn1)O |
|---|---|
| InChI | InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3 |
| InChIKey | DHLUJPLHLZJUBW-UHFFFAOYSA-N |
| Formula | C6H7NO |
| HBA | 2 |
| HBD | 1 |
| MW | 109.13 |
| Rotatable Bonds | 0 |
| TPSA | 33.12 |
| LogP | 1.1 |
| Number Rings | 1 |
| Number Aromatic Rings | 1 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.17 |
| Exact Mass | 109.05 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Senecio serratuloides | Asteraceae | Plantae | 2976806 |
Showing of synonyms
6-methyl-3-pyridinol
5-Hydroxy-2-methylpyridine
1121-78-4
6-Methylpyridin-3-ol
2-Methyl-5-hydroxypyridine
3-HYDROXY-6-METHYLPYRIDINE
3-Pyridinol, 6-methyl-
6-Methyl-3-hydroxypyridine
5-Hydroxy-2-picoline
2-methyl-5-pyridinol
UKE16JP1JR
EINECS 214-337-8
NSC 27963
BRN 0107077
DTXSID4051580
NSC-27963
3-PYRIDOL, 6-METHYL-
DTXCID8030132
DHLUJPLHLZJUBW-UHFFFAOYSA-
5-21-02-00139 (Beilstein Handbook Reference)
HYDROXY-6-METHYLPYRIDINE, 3-
Inchi=1/c6h7no/c1-5-2-3-6(8)4-7-5/h2-4,8h,1h3
MFCD00006339
2-methyl-5-hydroxy pyridine
UNII-UKE16JP1JR
2-methyl-5-hydroxy-pyridine
5-hydroxypicoline
6-Methyl-3-pyridol
6-Methyl-pyridin-3-ol
6-methyl-pyridine-3-ol
2-methyl-5hydroxypyridine
5-hydroxy-2-methylpridine
3-hydroxy-6-methyl-pyridine
5-hydroxy-2-methyl pyridine
5-hydroxy-2-methyl-pyridine
6-methyl-3-hydroxy-pyridine
SCHEMBL104940
5-Hydroxy-2-methylpyridine (5-Hydroxy-2-picoline)
CHEMBL134979
5-Hydroxy-2-methylpyridine, 99%
NSC27963
STR03888
Tox21_304013
CL0058
AKOS007930884
AC-5086
CS-W004681
FH35512
PB30543
NCGC00357226-01
BP-10108
SY007644
CAS-1121-78-4
H0763
NS00023606
EN300-55469
AC-907/25014124
Q27291117
F0001-0268
Z838078132
- Tata CM, Ndinteh D, et al. (2020). Fractionation and bioassay-guided isolation of antihypertensive components of Senecio serratuloides. Cogent Medicine,2020 , 7(1). [View]
Pubchem:
14275
Cas:
1121-78-4
Zinc:
ZINC000000331651
Nmrshiftdb2:
20208330
Chembl:
CHEMBL134979
Comptox:
DTXSID4051580
No compound-protein relationship available.
SMILES: c1ccncc1
Level: 0
Mol. Weight: 109.13 g/mol
Antihypertensive
Absorption
- Caco-2 (logPapp)
- -4.38
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.73
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -2.84
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 0.31
- Plasma Protein Binding
- 33.38
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Non-Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- Non-Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Non-Inhibitor
- CYP 2C9 Substrate
- Non-Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Non-Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 8.83
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 0.45
- Biodegradation
- Safe
- Carcinogenesis
- Safe
- Crustacean
- Safe
- Liver Injury I (DILI)
- Toxic
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 1.17
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 4.12
- Micronucleos
- Toxic
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- 2.51
- Rat (Acute)
- 1.7
- Rat (Chronic Oral)
- 2.11
- Fathead Minnow
- 3.03
- Respiratory Disease
- Safe
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 235.2
- Hydration Free Energy
- -8.57
- Log(D) at pH=7.4
- 0.63
- Log(P)
- 0.7
- Log S
- 0.15
- Log(Vapor Pressure)
- -1.34
- Melting Point
- 114.41
- pKa Acid
- 7.98
- pKa Basic
- 7.41
No predicted protein targets found for this compound.