4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C8H3F5N2 — CID 134682035

IUPAC4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H3F5N2/c9-7(10)5-1-6(8(11,12)13)15-3-4(5)2-14/h1,3,7H
InChIKeyQIAYGIIOYDAAFC-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.91
Rot. Bonds1

About 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 134682035) has the molecular formula C8H3F5N2 and a molecular weight of 222.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID134682035
Molecular FormulaC8H3F5N2
Molecular Weight222.12 g/mol
Exact Mass222.02
IUPAC Name4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H3F5N2/c9-7(10)5-1-6(8(11,12)13)15-3-4(5)2-14/h1,3,7H
InChIKeyQIAYGIIOYDAAFC-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

4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118844918
methyl 2-[5-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097366
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130071216
2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 118827552
4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134683659
4-(difluoromethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 119011408
5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134671200
methyl 5-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134664339
methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133097673

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 134682035) is 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(C(F)(F)F)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QIAYGIIOYDAAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2/c9-7(10)5-1-6(8(11,12)13)15-3-4(5)2-14/h1,3,7H.
What are the key properties of 4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-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-3-carbonitrile is sourced from PubChem (CID 134682035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).