2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid

C8H6ClF2NO2 — CID 118996276

IUPAC2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(F)F)c(C(=O)O)c(Cl)n1
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(7(10)11)5(8(13)14)6(9)12-3/h2,7H,1H3,(H,13,14)
InChIKeyDABNLVFGWIARKN-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid

2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 118996276) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid
PubChem CID118996276
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(F)F)c(C(=O)O)c(Cl)n1
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(7(10)11)5(8(13)14)6(9)12-3/h2,7H,1H3,(H,13,14)
InChIKeyDABNLVFGWIARKN-UHFFFAOYSA-N
XLogP2.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(difluoromethyl)-6-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid (CID 118996276) is 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid is Cc1cc(C(F)F)c(C(=O)O)c(Cl)n1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is DABNLVFGWIARKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-3-2-4(7(10)11)5(8(13)14)6(9)12-3/h2,7H,1H3,(H,13,14).
What are the key properties of 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid?
2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 221.59 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 118996276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).