5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide

C7H4ClF3N2O — CID 130072214

IUPAC5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
SMILESNC(=O)c1nc(F)c(Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF3N2O/c8-3-1-2(5(9)10)4(7(12)14)13-6(3)11/h1,5H,(H2,12,14)
InChIKeyUWHKEQXYRHPBQE-UHFFFAOYSA-N
MW224.57 g/mol
LogP1.91
Rot. Bonds2

About 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide

5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide (PubChem CID 130072214) has the molecular formula C7H4ClF3N2O and a molecular weight of 224.57 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
PubChem CID130072214
Molecular FormulaC7H4ClF3N2O
Molecular Weight224.57 g/mol
Exact Mass224.00
IUPAC Name5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
SMILESNC(=O)c1nc(F)c(Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF3N2O/c8-3-1-2(5(9)10)4(7(12)14)13-6(3)11/h1,5H,(H2,12,14)
InChIKeyUWHKEQXYRHPBQE-UHFFFAOYSA-N
XLogP1.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide 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

ethyl 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134672008
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 119005525
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxamide
CID 130103139
6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
CID 130072196
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130104260
5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 130079740
3-(difluoromethyl)-5-methoxy-6-methylpyridine-2-carboxamide
CID 133098966
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 118992492
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979
4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
CID 119022721

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide (CID 130072214) is 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide is NC(=O)c1nc(F)c(Cl)cc1C(F)F.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is UWHKEQXYRHPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O/c8-3-1-2(5(9)10)4(7(12)14)13-6(3)11/h1,5H,(H2,12,14).
What are the key properties of 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide?
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 224.57 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 130072214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).