5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid

C13H8ClFN2O3 — CID 63153677

IUPAC5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H8ClFN2O3/c14-8-1-2-10(11(15)4-8)12(18)17-9-3-7(13(19)20)5-16-6-9/h1-6H,(H,17,18)(H,19,20)
InChIKeyWMOMTCYHEDGDOV-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.82
Rot. Bonds3

About 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid

5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 63153677) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID63153677
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H8ClFN2O3/c14-8-1-2-10(11(15)4-8)12(18)17-9-3-7(13(19)20)5-16-6-9/h1-6H,(H,17,18)(H,19,20)
InChIKeyWMOMTCYHEDGDOV-UHFFFAOYSA-N
XLogP2.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.67
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
CID 63154147
dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 26586202
5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 65308224
2-fluoro-4-hydroxy-N-(5-methyl-3-pyridinyl)benzamide
CID 107676884
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 156760584
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
5-(1,2-oxazole-3-carbonylamino)pyridine-3-carboxylic acid
CID 63154305
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid (CID 63153677) is 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is WMOMTCYHEDGDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-8-1-2-10(11(15)4-8)12(18)17-9-3-7(13(19)20)5-16-6-9/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 294.67 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63153677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).