4-(difluoromethyl)pyridine-2-carbonitrile

C7H4F2N2 — CID 118415320

IUPAC4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)ccn1
InChIInChI=1S/C7H4F2N2/c8-7(9)5-1-2-11-6(3-5)4-10/h1-3,7H
InChIKeyOUHYVRDBTSLOGT-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.89
Rot. Bonds1

About 4-(difluoromethyl)pyridine-2-carbonitrile

4-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 118415320) has the molecular formula C7H4F2N2 and a molecular weight of 154.12 g/mol. Its IUPAC name is 4-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID118415320
Molecular FormulaC7H4F2N2
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)ccn1
InChIInChI=1S/C7H4F2N2/c8-7(9)5-1-2-11-6(3-5)4-10/h1-3,7H
InChIKeyOUHYVRDBTSLOGT-UHFFFAOYSA-N
XLogP1.89
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)pyridine-2-carbonitrile 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 4-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)pyridine-2-carbonitrile (CID 118415320) is 4-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)F)ccn1.
What is the InChIKey of 4-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is OUHYVRDBTSLOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2/c8-7(9)5-1-2-11-6(3-5)4-10/h1-3,7H.
What are the key properties of 4-(difluoromethyl)pyridine-2-carbonitrile?
4-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 154.12 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118415320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).