5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid

C13H11NO4 — CID 53222732

IUPAC5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]cc1-c1ccccc1CO
InChIInChI=1S/C13H11NO4/c15-7-8-3-1-2-4-9(8)11-6-14-12(16)5-10(11)13(17)18/h1-6,15H,7H2,(H,14,16)(H,17,18)
InChIKeyRIXROZVHMUKZEB-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.23
Rot. Bonds3

About 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid

5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 53222732) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID53222732
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]cc1-c1ccccc1CO
InChIInChI=1S/C13H11NO4/c15-7-8-3-1-2-4-9(8)11-6-14-12(16)5-10(11)13(17)18/h1-6,15H,7H2,(H,14,16)(H,17,18)
InChIKeyRIXROZVHMUKZEB-UHFFFAOYSA-N
XLogP1.23
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-5-phenyl-1H-pyridine-4-carboxylic acid
CID 46314981
5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 53222733
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid
CID 53225310
5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222685
2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid
CID 133091347
2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid
CID 53225323
2-[2-(hydroxymethyl)phenyl]-4-nitrobenzoic acid
CID 53225331
2-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092325
5-(2,2-dimethylpropylcarbamoyl)-2-[2-(hydroxymethyl)phenyl]benzoic acid
CID 91185005
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
CID 53222723

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid (CID 53222732) is 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]cc1-c1ccccc1CO.
What is the InChIKey of 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is RIXROZVHMUKZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-7-8-3-1-2-4-9(8)11-6-14-12(16)5-10(11)13(17)18/h1-6,15H,7H2,(H,14,16)(H,17,18).
What are the key properties of 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid?
5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 53222732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).