5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C13H9ClN2O4 — CID 53224202

IUPAC5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESNC(=O)c1cc(-c2c[nH]c(=O)c(C(=O)O)c2)ccc1Cl
InChIInChI=1S/C13H9ClN2O4/c14-10-2-1-6(3-8(10)11(15)17)7-4-9(13(19)20)12(18)16-5-7/h1-5H,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyJAANOSYRNKRHPO-UHFFFAOYSA-N
MW292.68 g/mol
LogP1.49
Rot. Bonds3

About 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53224202) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53224202
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESNC(=O)c1cc(-c2c[nH]c(=O)c(C(=O)O)c2)ccc1Cl
InChIInChI=1S/C13H9ClN2O4/c14-10-2-1-6(3-8(10)11(15)17)7-4-9(13(19)20)12(18)16-5-7/h1-5H,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyJAANOSYRNKRHPO-UHFFFAOYSA-N
XLogP1.49
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223518
5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 10014975
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
CID 10375975
5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223113
2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 53222416
5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53222871
5-(3-carbamoylphenyl)-2-chlorobenzoic acid
CID 53226144
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224066
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 53224202) is 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is NC(=O)c1cc(-c2c[nH]c(=O)c(C(=O)O)c2)ccc1Cl.
What is the InChIKey of 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is JAANOSYRNKRHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-10-2-1-6(3-8(10)11(15)17)7-4-9(13(19)20)12(18)16-5-7/h1-5H,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 292.68 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53224202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).