4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid

C12H7ClFNO2 — CID 69201249

IUPAC4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C12H7ClFNO2/c13-9-2-1-5-15-11(9)8-4-3-7(12(16)17)6-10(8)14/h1-6H,(H,16,17)
InChIKeyPHSQMZGAOZKSAQ-UHFFFAOYSA-N
MW251.64 g/mol
LogP3.24
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid

4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid (PubChem CID 69201249) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid
PubChem CID69201249
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C12H7ClFNO2/c13-9-2-1-5-15-11(9)8-4-3-7(12(16)17)6-10(8)14/h1-6H,(H,16,17)
InChIKeyPHSQMZGAOZKSAQ-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

3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68947647
4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide
CID 59672610
4-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-fluorobenzamide
CID 59673665
N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
CID 59673213
4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide
CID 59672600
4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
CID 119008734
3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid
CID 167767166
3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)benzoic acid
CID 134620174
N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
CID 59673739
1-(4-chloro-2-fluorophenyl)isoquinoline-7-carboxylic acid
CID 67960991
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
4-[1-[2-chloro-6-[(E)-prop-1-enyl]benzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
CID 73296833

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid (CID 69201249) is 4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid is O=C(O)c1ccc(-c2ncccc2Cl)c(F)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid?
The InChIKey is PHSQMZGAOZKSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-9-2-1-5-15-11(9)8-4-3-7(12(16)17)6-10(8)14/h1-6H,(H,16,17).
What are the key properties of 4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid?
4-(3-chloro-2-pyridinyl)-3-fluorobenzoic 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-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid is sourced from PubChem (CID 69201249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).