6-(Hydroxymethyl)pyridin-3-ol
PubChem CID: 419490
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-(hydroxymethyl)pyridin-3-ol, 40222-77-3, 5-Hydroxy-2-pyridinemethanol, 2-Hydroxymethyl-5-hydroxypyridine, 2-Pyridinemethanol,5-hydroxy-(6CI,9CI), CHEMBL1917284, DTXSID10329330, 5-hydroxy-2-pyridine methanol, 2-Pyridinemethanol, 5-hydroxy-, MFCD16249568, 3-Hydroxy-6-Pyridinemethanol, SCHEMBL1924446, 5-hydroxy-2-hydroxymethylpyridine, DTXCID50280431, CHEBI:229020, NESFDGDRYVANBC-UHFFFAOYSA-N, QBA22277, BDBM50357396, AKOS015891593, CS-W007140, HY-W007140, BS-13172, DB-349956, EN300-80019, Y10491, Z1217915045, 817-868-9 |
|---|---|
| Topological Polar Surface Area | 53.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 87.1 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P51452, P35236 |
| Iupac Name | 6-(hydroxymethyl)pyridin-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C6H7NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NESFDGDRYVANBC-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -0.639 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.06 |
| Compound Name | 6-(Hydroxymethyl)pyridin-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 125.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.048 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 125.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8226207333333333 |
| Inchi | InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)3-7-5/h1-3,8-9H,4H2 |
| Smiles | C1=CC(=NC=C1O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all