2-Chloro-5-[2-(hydroxymethyl)phenyl]pyridine-4-carboxylic acid
Basic information
- CAS
1261996-90-0- Standard SMILES
O=C(O)c1cc(Cl)ncc1-c1ccccc1CO- InChIKey
XDFMHBQPJIZWAB-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO3
- Average molar mass
- 263.67 g/mol
- Monoisotopic mass
- 263.0349209
Names & identifiers
- Preferred name
- 2-Chloro-5-[2-(hydroxymethyl)phenyl]pyridine-4-carboxylic acid
- IUPAC
- 2-chloro-5-[2-(hydroxymethyl)phenyl]pyridine-4-carboxylic acid
Names & synonyms
1261996-90-02-chloro-5-[2-(hydroxymethyl)phenyl]pyridine-4-carboxylic acid2-CHLORO-5-(2-HYDROXYMETHYLPHENYL)ISONICOTINIC ACIDDTXSID70687100MFCD183169232-Chloro-5-(2-hydroxymethylphenyl)isonicotinic acid, 95%
Database identifiers
- CAS
1261996-90-0- PubChem CID
- 53222736
- DTXSID
DTXSID70687100
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
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