4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid

C12H7ClFNO2 — CID 107989864

IUPAC4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(-c2ccncc2F)c1
InChIInChI=1S/C12H7ClFNO2/c13-10-2-1-7(12(16)17)5-9(10)8-3-4-15-6-11(8)14/h1-6H,(H,16,17)
InChIKeyAWKGSLDLQQGVAE-UHFFFAOYSA-N
MW251.64 g/mol
LogP3.24
Rot. Bonds2

About 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid

4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid (PubChem CID 107989864) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid
PubChem CID107989864
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(-c2ccncc2F)c1
InChIInChI=1S/C12H7ClFNO2/c13-10-2-1-7(12(16)17)5-9(10)8-3-4-15-6-11(8)14/h1-6H,(H,16,17)
InChIKeyAWKGSLDLQQGVAE-UHFFFAOYSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-4-pyridinyl)-3-methylbenzoic acid
CID 104738752
4-chloro-3-pyrimidin-5-ylbenzoic acid
CID 107989666
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
4-chloro-3-fluorobenzoic acid
CID 2736536
1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid
CID 141184595
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid
CID 86710327
3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
CID 133090356
N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 10359946
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
3,4-dipyridin-3-ylbenzoic acid
CID 46316417

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid?
The IUPAC name of 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid (CID 107989864) is 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid is O=C(O)c1ccc(Cl)c(-c2ccncc2F)c1.
What is the InChIKey of 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid?
The InChIKey is AWKGSLDLQQGVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-10-2-1-7(12(16)17)5-9(10)8-3-4-15-6-11(8)14/h1-6H,(H,16,17).
What are the key properties of 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid?
4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid has a molecular weight of 251.64 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid is sourced from PubChem (CID 107989864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).