5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid

C13H11NO4 — CID 53222733

IUPAC5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2ccccc2CO)c1
InChIInChI=1S/C13H11NO4/c15-7-8-3-1-2-4-10(8)11-5-9(13(17)18)6-14-12(11)16/h1-6,15H,7H2,(H,14,16)(H,17,18)
InChIKeyISRXAACVCLNVNN-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.23
Rot. Bonds3

About 5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid

5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53222733) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53222733
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2ccccc2CO)c1
InChIInChI=1S/C13H11NO4/c15-7-8-3-1-2-4-10(8)11-5-9(13(17)18)6-14-12(11)16/h1-6,15H,7H2,(H,14,16)(H,17,18)
InChIKeyISRXAACVCLNVNN-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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Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid (CID 53222733) is 5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2ccccc2CO)c1.
What is the InChIKey of 5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ISRXAACVCLNVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-7-8-3-1-2-4-10(8)11-5-9(13(17)18)6-14-12(11)16/h1-6,15H,7H2,(H,14,16)(H,17,18).
What are the key properties of 5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid?
5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-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]-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53222733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).