3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile

C7H2ClF3N2 — CID 130070902

IUPAC3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc(C(F)F)c1Cl
InChIInChI=1S/C7H2ClF3N2/c8-5-3(2-12)1-4(9)13-6(5)7(10)11/h1,7H
InChIKeyVEJSPOIHGMUGBH-UHFFFAOYSA-N
MW206.55 g/mol
LogP2.68
Rot. Bonds1

About 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile

3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile (PubChem CID 130070902) has the molecular formula C7H2ClF3N2 and a molecular weight of 206.55 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
PubChem CID130070902
Molecular FormulaC7H2ClF3N2
Molecular Weight206.55 g/mol
Exact Mass205.99
IUPAC Name3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc(C(F)F)c1Cl
InChIInChI=1S/C7H2ClF3N2/c8-5-3(2-12)1-4(9)13-6(5)7(10)11/h1,7H
InChIKeyVEJSPOIHGMUGBH-UHFFFAOYSA-N
XLogP2.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.55
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile 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

3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976
3-bromo-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130108571
3-chloro-2,6-difluoropyridine-4-carbonitrile
CID 133081070
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
3,4-dichloro-2-(difluoromethyl)-6-fluoropyridine
CID 130099210
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 118832955
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130071015
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130071480
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134662530

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile (CID 130070902) is 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile is N#Cc1cc(F)nc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile?
The InChIKey is VEJSPOIHGMUGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2/c8-5-3(2-12)1-4(9)13-6(5)7(10)11/h1,7H.
What are the key properties of 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile?
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile has a molecular weight of 206.55 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile is sourced from PubChem (CID 130070902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).