2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid

C13H7ClFNO3 — CID 23355545

IUPAC2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H7ClFNO3/c14-7-3-4-10(15)9(6-7)12(17)11-8(13(18)19)2-1-5-16-11/h1-6H,(H,18,19)
InChIKeyFOORGEUXQUUJLW-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.80
Rot. Bonds3

About 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid

2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid (PubChem CID 23355545) has the molecular formula C13H7ClFNO3 and a molecular weight of 279.65 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid
PubChem CID23355545
Molecular FormulaC13H7ClFNO3
Molecular Weight279.65 g/mol
Exact Mass279.01
IUPAC Name2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H7ClFNO3/c14-7-3-4-10(15)9(6-7)12(17)11-8(13(18)19)2-1-5-16-11/h1-6H,(H,18,19)
InChIKeyFOORGEUXQUUJLW-UHFFFAOYSA-N
XLogP2.80
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-fluorobenzoyl)pyridine-2-carboxylic acid
CID 23355556
(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 10682094
5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733253
pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614768
3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid
CID 82481566
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde
CID 19701612
(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
CID 105122735

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid (CID 23355545) is 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid?
The InChIKey is FOORGEUXQUUJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNO3/c14-7-3-4-10(15)9(6-7)12(17)11-8(13(18)19)2-1-5-16-11/h1-6H,(H,18,19).
What are the key properties of 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid?
2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid has a molecular weight of 279.65 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 23355545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).