6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile

C8H5F3N2 — CID 130095977

IUPAC6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(CF)c1
InChIInChI=1S/C8H5F3N2/c9-2-6-1-5(3-12)4-13-7(6)8(10)11/h1,4,8H,2H2
InChIKeyZCRQOBQAKCCFMA-UHFFFAOYSA-N
MW186.14 g/mol
LogP2.36
Rot. Bonds2

About 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile

6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile (PubChem CID 130095977) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile
PubChem CID130095977
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(CF)c1
InChIInChI=1S/C8H5F3N2/c9-2-6-1-5(3-12)4-13-7(6)8(10)11/h1,4,8H,2H2
InChIKeyZCRQOBQAKCCFMA-UHFFFAOYSA-N
XLogP2.36
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-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

6-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 130095854
6-(difluoromethyl)-5-(fluoromethyl)pyridin-3-amine
CID 130094773
5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine
CID 130095561
5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile
CID 118039059
5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130095791
6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130094585
5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134671200
2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile
CID 130095973
2-propan-2-ylpyridine-3,5-dicarbonitrile
CID 10261540
5,6-diethylpyridine-3-carbonitrile
CID 18177672
5-(2,2-difluoroethoxy)pyridine-3-carbonitrile
CID 119054448
5-(fluoromethyl)pyridine-3-carbonitrile
CID 174750728

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile (CID 130095977) is 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(C(F)F)c(CF)c1.
What is the InChIKey of 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ZCRQOBQAKCCFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c9-2-6-1-5(3-12)4-13-7(6)8(10)11/h1,4,8H,2H2.
What are the key properties of 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile?
6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile has a molecular weight of 186.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130095977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).