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

C12H6ClF2NO2 — CID 53223063

IUPAC2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)ncc1-c1cccc(F)c1F
InChIInChI=1S/C12H6ClF2NO2/c13-10-4-7(12(17)18)8(5-16-10)6-2-1-3-9(14)11(6)15/h1-5H,(H,17,18)
InChIKeyHKZFZMKQRGAMKV-UHFFFAOYSA-N
MW269.63 g/mol
LogP3.38
Rot. Bonds2

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

2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid (PubChem CID 53223063) has the molecular formula C12H6ClF2NO2 and a molecular weight of 269.63 g/mol. Its IUPAC name is 2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
PubChem CID53223063
Molecular FormulaC12H6ClF2NO2
Molecular Weight269.63 g/mol
Exact Mass269.01
IUPAC Name2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)ncc1-c1cccc(F)c1F
InChIInChI=1S/C12H6ClF2NO2/c13-10-4-7(12(17)18)8(5-16-10)6-2-1-3-9(14)11(6)15/h1-5H,(H,17,18)
InChIKeyHKZFZMKQRGAMKV-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid (CID 53223063) is 2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)ncc1-c1cccc(F)c1F.
What is the InChIKey of 2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid?
The InChIKey is HKZFZMKQRGAMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO2/c13-10-4-7(12(17)18)8(5-16-10)6-2-1-3-9(14)11(6)15/h1-5H,(H,17,18).
What are the key properties of 2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid?
2-chloro-5-(2,3-difluorophenyl)pyridine-4-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 2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53223063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).