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

C12H6ClF2NO2 — CID 119009735

IUPAC2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cl)c1-c1cccc(F)c1F
InChIInChI=1S/C12H6ClF2NO2/c13-11-9(7(12(17)18)4-5-16-11)6-2-1-3-8(14)10(6)15/h1-5H,(H,17,18)
InChIKeyVQKMAMJZMJVPSC-UHFFFAOYSA-N
MW269.63 g/mol
LogP3.38
Rot. Bonds2

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

2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid (PubChem CID 119009735) has the molecular formula C12H6ClF2NO2 and a molecular weight of 269.63 g/mol. Its IUPAC name is 2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid
PubChem CID119009735
Molecular FormulaC12H6ClF2NO2
Molecular Weight269.63 g/mol
Exact Mass269.01
IUPAC Name2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cl)c1-c1cccc(F)c1F
InChIInChI=1S/C12H6ClF2NO2/c13-11-9(7(12(17)18)4-5-16-11)6-2-1-3-8(14)10(6)15/h1-5H,(H,17,18)
InChIKeyVQKMAMJZMJVPSC-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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Related Compounds

2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093653
2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782
2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 53223063
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
2-(2,3-difluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938268
2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 119000557
2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
CID 118807060
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976
6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 24729986
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-fluoro-3-phenylpyridine-4-carboxylic acid
CID 46314938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid (CID 119009735) is 2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Cl)c1-c1cccc(F)c1F.
What is the InChIKey of 2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid?
The InChIKey is VQKMAMJZMJVPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO2/c13-11-9(7(12(17)18)4-5-16-11)6-2-1-3-8(14)10(6)15/h1-5H,(H,17,18).
What are the key properties of 2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid?
2-chloro-3-(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-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 119009735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).