4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid

C7H3ClF3NO2 — CID 118839306

IUPAC4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(F)c(C(F)F)c1Cl
InChIInChI=1S/C7H3ClF3NO2/c8-4-2(7(13)14)1-12-6(11)3(4)5(9)10/h1,5H,(H,13,14)
InChIKeyAIAYEMHDPJGTBC-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.51
Rot. Bonds2

About 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid

4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid (PubChem CID 118839306) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
PubChem CID118839306
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(F)c(C(F)F)c1Cl
InChIInChI=1S/C7H3ClF3NO2/c8-4-2(7(13)14)1-12-6(11)3(4)5(9)10/h1,5H,(H,13,14)
InChIKeyAIAYEMHDPJGTBC-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 118833693
5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130072218
4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
CID 118828922
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
4-chloro-3-(difluoromethyl)-2-fluorobenzoic acid
CID 163198095
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
4-chloro-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118800128
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
2-chloro-3-(difluoromethyl)-6-fluoropyridine-4-carboxylic acid
CID 119004038
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid (CID 118839306) is 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid is O=C(O)c1cnc(F)c(C(F)F)c1Cl.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The InChIKey is AIAYEMHDPJGTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-4-2(7(13)14)1-12-6(11)3(4)5(9)10/h1,5H,(H,13,14).
What are the key properties of 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid has a molecular weight of 225.55 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 118839306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).