4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile

C8H3F5N2 — CID 134668564

IUPAC4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H3F5N2/c9-7(10)4-1-5(3-14)15-6(2-4)8(11,12)13/h1-2,7H
InChIKeyBUPIRKQQKQXEFG-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.91
Rot. Bonds1

About 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile

4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 134668564) has the molecular formula C8H3F5N2 and a molecular weight of 222.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID134668564
Molecular FormulaC8H3F5N2
Molecular Weight222.12 g/mol
Exact Mass222.02
IUPAC Name4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H3F5N2/c9-7(10)4-1-5(3-14)15-6(2-4)8(11,12)13/h1-2,7H
InChIKeyBUPIRKQQKQXEFG-UHFFFAOYSA-N
XLogP2.91
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134672891
2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 118827552
4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130096001
2-(difluoromethyl)-3-formyl-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 133106254
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130071216
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118838127
4-(difluoromethyl)-6-(hydroxymethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106439
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 134668564) is 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is BUPIRKQQKQXEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2/c9-7(10)4-1-5(3-14)15-6(2-4)8(11,12)13/h1-2,7H.
What are the key properties of 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 222.12 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 134668564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).