4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid

C12H6ClF2NO2 — CID 86710327

IUPAC4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1-c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H6ClF2NO2/c13-9-4-10(14)7(3-11(9)15)6-1-2-16-5-8(6)12(17)18/h1-5H,(H,17,18)
InChIKeyKFVIQMJAIMIKSX-UHFFFAOYSA-N
MW269.63 g/mol
LogP3.38
Rot. Bonds2

About 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid

4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid (PubChem CID 86710327) has the molecular formula C12H6ClF2NO2 and a molecular weight of 269.63 g/mol. Its IUPAC name is 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid
PubChem CID86710327
Molecular FormulaC12H6ClF2NO2
Molecular Weight269.63 g/mol
Exact Mass269.01
IUPAC Name4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1-c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H6ClF2NO2/c13-9-4-10(14)7(3-11(9)15)6-1-2-16-5-8(6)12(17)18/h1-5H,(H,17,18)
InChIKeyKFVIQMJAIMIKSX-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597
4-(3,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 14182189
4-fluoropyridine-3-carboxylic acid
CID 2762936
4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53229231
4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741529
4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53229506
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
methyl 4-(4-chloro-2-fluorophenyl)pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate
CID 118278250
4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid
CID 107989864
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid (CID 86710327) is 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1-c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is KFVIQMJAIMIKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO2/c13-9-4-10(14)7(3-11(9)15)6-1-2-16-5-8(6)12(17)18/h1-5H,(H,17,18).
What are the key properties of 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid?
4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 269.63 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 86710327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).