Common name
2-methylpyridin-3-ol
IUPAC name
2-methylpyridin-3-ol
SMILES
n1c(c(ccc1)O)C
Common name
2-methylpyridin-3-ol
IUPAC name
2-methylpyridin-3-ol
SMILES
n1c(c(ccc1)O)C
INCHI
InChI=1S/C6H7NO/c1-5-6(8)3-2-4-7-5/h2-4,8H,1H3
FORMULA
C6H7NO
Common name
2-methylpyridin-3-ol
IUPAC name
2-methylpyridin-3-ol
Molecular weight
109.126
clogP
1.378
clogS
-1.318
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
33.12
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00054 | Pyridoxine |
|
Vitamin B Complex; Vitamins; Alimentary Tract and Metabolism; | For the treatment of vitamin B6 deficiency and for the prophylaxis of isoniazid-induced peripheral neuropathy. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ge4_ligand_frag_1.mol2 | 4ge4 | 1 | -6.79 | c1ccc(c(n1)C)O | 8 |
| 1m7y_ligand_frag_0.mol2 | 1m7y | 1 | -6.72 | n1c(c(ccc1)O)C | 8 |
| 4ge9_ligand_frag_2.mol2 | 4ge9 | 1 | -6.69 | c1cc(c(nc1)C)O | 8 |
| 3fq7_ligand_frag_0.mol2 | 3fq7 | 1 | -6.59 | n1c(c(ccc1)O)C | 8 |
| 2fq6_ligand_frag_3.mol2 | 2fq6 | 1 | -6.52 | c1cnc(c(c1)O)C | 8 |
| 4oma_ligand_frag_0.mol2 | 4oma | 1 | -6.51 | n1c(c(ccc1)O)C | 8 |
| 2bmk_ligand_frag_0.mol2 | 2bmk | 1 | -6.50 | n1c(c(ccc1)O)C | 8 |
| 1m0q_ligand_frag_2.mol2 | 1m0q | 1 | -6.48 | n1c(c(ccc1)O)C | 8 |
| 1d6s_ligand_frag_5.mol2 | 1d6s | 1 | -6.46 | n1c(c(ccc1)O)C | 8 |
151 ,
16
