5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid

C12H7ClFNO2 — CID 46313816

IUPAC5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)ncc1Cl
InChIInChI=1S/C12H7ClFNO2/c13-10-6-15-11(5-9(10)12(16)17)7-1-3-8(14)4-2-7/h1-6H,(H,16,17)
InChIKeyZMLBPNSUWNGOQV-UHFFFAOYSA-N
MW251.64 g/mol
LogP3.24
Rot. Bonds2

About 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid

5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid (PubChem CID 46313816) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid
PubChem CID46313816
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)ncc1Cl
InChIInChI=1S/C12H7ClFNO2/c13-10-6-15-11(5-9(10)12(16)17)7-1-3-8(14)4-2-7/h1-6H,(H,16,17)
InChIKeyZMLBPNSUWNGOQV-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

6-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23502836
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313848
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919316
2-(3,5-difluorophenyl)-5-hydroxypyridine-4-carboxylic acid
CID 132589060
5-fluoro-2-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 155818629
ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
CID 156896155
2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 53222416
4-(2-chlorophenoxy)-6-(3-fluorophenyl)pyridine-3-carboxylic acid
CID 24805160
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid (CID 46313816) is 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid?
The InChIKey is ZMLBPNSUWNGOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-10-6-15-11(5-9(10)12(16)17)7-1-3-8(14)4-2-7/h1-6H,(H,16,17).
What are the key properties of 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid?
5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic 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 5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 46313816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).