2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide

C8H4ClF2N3O — CID 119016503

IUPAC2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
SMILESN#Cc1c(C(N)=O)cc(C(F)F)nc1Cl
InChIInChI=1S/C8H4ClF2N3O/c9-6-4(2-12)3(8(13)15)1-5(14-6)7(10)11/h1,7H,(H2,13,15)
InChIKeyYMWORVCJJRRXKA-UHFFFAOYSA-N
MW231.59 g/mol
LogP1.64
Rot. Bonds2

About 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide

2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide (PubChem CID 119016503) has the molecular formula C8H4ClF2N3O and a molecular weight of 231.59 g/mol. Its IUPAC name is 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
PubChem CID119016503
Molecular FormulaC8H4ClF2N3O
Molecular Weight231.59 g/mol
Exact Mass231.00
IUPAC Name2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
SMILESN#Cc1c(C(N)=O)cc(C(F)F)nc1Cl
InChIInChI=1S/C8H4ClF2N3O/c9-6-4(2-12)3(8(13)15)1-5(14-6)7(10)11/h1,7H,(H2,13,15)
InChIKeyYMWORVCJJRRXKA-UHFFFAOYSA-N
XLogP1.64
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.59
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-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

2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119004602
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide
CID 119017925
2,3-diamino-6-(difluoromethyl)pyridine-4-carboxamide
CID 119018170
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide
CID 130100741
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
2-(bromomethyl)-3-cyano-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 130078991
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 119024451
4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 118829125
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide
CID 119018264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide (CID 119016503) is 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide is N#Cc1c(C(N)=O)cc(C(F)F)nc1Cl.
What is the InChIKey of 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide?
The InChIKey is YMWORVCJJRRXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2N3O/c9-6-4(2-12)3(8(13)15)1-5(14-6)7(10)11/h1,7H,(H2,13,15).
What are the key properties of 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide?
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide has a molecular weight of 231.59 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 119016503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).