6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid

C13H8ClFN2O3 — CID 63641862

IUPAC6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2c(F)cccc2Cl)n1
InChIInChI=1S/C13H8ClFN2O3/c14-7-3-1-4-8(15)11(7)12(18)17-10-6-2-5-9(16-10)13(19)20/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyCMZKOSOIYCWGOH-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.82
Rot. Bonds3

About 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid

6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 63641862) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID63641862
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2c(F)cccc2Cl)n1
InChIInChI=1S/C13H8ClFN2O3/c14-7-3-1-4-8(15)11(7)12(18)17-10-6-2-5-9(16-10)13(19)20/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyCMZKOSOIYCWGOH-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-Chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 134394578
6-(Prop-2-enamido)pyridine-2-carboxylic acid
CID 63642220
4-Chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947480
3-Chloro-2-fluoro-6-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 76900680
7-Oxo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 21873736
7-Oxo-7,8-dihydro-1,8-naphthyridine-2-carboxylic acid
CID 67907967
2-chloro-4,5-difluoro-N-(6-methylpyridin-2-yl)benzamide
CID 600420
6-{[(Benzyloxy)carbonyl]amino}pyridine-2-carboxylic acid
CID 63643408
Ethyl 2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 2817895
4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide
CID 91652296
3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 97271005

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid (CID 63641862) is 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC(=O)c2c(F)cccc2Cl)n1.
What is the InChIKey of 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is CMZKOSOIYCWGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-7-3-1-4-8(15)11(7)12(18)17-10-6-2-5-9(16-10)13(19)20/h1-6H,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-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 6-[(2-chloro-6-fluorobenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63641862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).