2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid

C13H9ClN2O4 — CID 63724282

IUPAC2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H9ClN2O4/c14-8-4-1-5-9(10(8)13(19)20)16-12(18)7-3-2-6-15-11(7)17/h1-6H,(H,15,17)(H,16,18)(H,19,20)
InChIKeyNOOUQDXKOWMBGL-UHFFFAOYSA-N
MW292.68 g/mol
LogP1.98
Rot. Bonds3

About 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid

2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (PubChem CID 63724282) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
PubChem CID63724282
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H9ClN2O4/c14-8-4-1-5-9(10(8)13(19)20)16-12(18)7-3-2-6-15-11(7)17/h1-6H,(H,15,17)(H,16,18)(H,19,20)
InChIKeyNOOUQDXKOWMBGL-UHFFFAOYSA-N
XLogP1.98
TPSA99.26 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 ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
CID 63722942
2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
CID 63724627
N-(2-bromophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 43111877
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
N-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692742
N-(3,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692745
3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272339
N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 64787521
2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 63746870
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
N-(3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653882
2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
CID 107095848

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (CID 63724282) is 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is O=C(O)c1c(Cl)cccc1NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is NOOUQDXKOWMBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-8-4-1-5-9(10(8)13(19)20)16-12(18)7-3-2-6-15-11(7)17/h1-6H,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 292.68 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63724282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).