2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride

C8H2ClF3N2O — CID 134685966

IUPAC2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
SMILESN#Cc1nc(C(F)F)cc(C(=O)Cl)c1F
InChIInChI=1S/C8H2ClF3N2O/c9-7(15)3-1-4(8(11)12)14-5(2-13)6(3)10/h1,8H
InChIKeyJCMQLBHVAMGUBV-UHFFFAOYSA-N
MW234.56 g/mol
LogP2.41
Rot. Bonds2

About 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride

2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride (PubChem CID 134685966) has the molecular formula C8H2ClF3N2O and a molecular weight of 234.56 g/mol. Its IUPAC name is 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
PubChem CID134685966
Molecular FormulaC8H2ClF3N2O
Molecular Weight234.56 g/mol
Exact Mass233.98
IUPAC Name2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
SMILESN#Cc1nc(C(F)F)cc(C(=O)Cl)c1F
InChIInChI=1S/C8H2ClF3N2O/c9-7(15)3-1-4(8(11)12)14-5(2-13)6(3)10/h1,8H
InChIKeyJCMQLBHVAMGUBV-UHFFFAOYSA-N
XLogP2.41
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.56
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride 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

6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134662971
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-carbonyl chloride
CID 133105557
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 134684536
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
CID 134686290
5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
CID 134668839
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride
CID 130096534

Frequently Asked Questions

What is the IUPAC name of 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride?
The IUPAC name of 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride (CID 134685966) is 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride.
What is the SMILES notation for 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride?
The canonical SMILES for 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride is N#Cc1nc(C(F)F)cc(C(=O)Cl)c1F.
What is the InChIKey of 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride?
The InChIKey is JCMQLBHVAMGUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF3N2O/c9-7(15)3-1-4(8(11)12)14-5(2-13)6(3)10/h1,8H.
What are the key properties of 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride?
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride has a molecular weight of 234.56 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride is sourced from PubChem (CID 134685966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).