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

C13H8ClFN2O3 — CID 81266249

IUPAC3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClFN2O3/c14-9-3-1-2-8(11(9)15)12(18)17-10-6-16-5-4-7(10)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyQGUXELAANUHRKX-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.82
Rot. Bonds3

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

3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid (PubChem CID 81266249) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
PubChem CID81266249
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClFN2O3/c14-9-3-1-2-8(11(9)15)12(18)17-10-6-16-5-4-7(10)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyQGUXELAANUHRKX-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

N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 105068435
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
CID 81265567
6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81267592
3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 114558544
5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017
2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 66482898
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
N-(2,3-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443246
N-(2,6-dichlorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105070470

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid (CID 81266249) is 3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NC(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid?
The InChIKey is QGUXELAANUHRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-9-3-1-2-8(11(9)15)12(18)17-10-6-16-5-4-7(10)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid?
3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-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 3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 81266249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).