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

C8H3F5N2 — CID 134671200

IUPAC5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C8H3F5N2/c9-7(10)5-1-4(2-14)3-15-6(5)8(11,12)13/h1,3,7H
InChIKeyQIHNMGOSNXQDOT-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.91
Rot. Bonds1

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

5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 134671200) has the molecular formula C8H3F5N2 and a molecular weight of 222.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID134671200
Molecular FormulaC8H3F5N2
Molecular Weight222.12 g/mol
Exact Mass222.02
IUPAC Name5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C8H3F5N2/c9-7(10)5-1-4(2-14)3-15-6(5)8(11,12)13/h1,3,7H
InChIKeyQIHNMGOSNXQDOT-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

6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130094585
5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130095791
5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134661690
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 119014969
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685819
2-[3-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685821
6-bromo-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 73425180
6-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 130095854
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119020295
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 134671200) is 5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(C(F)(F)F)c(C(F)F)c1.
What is the InChIKey of 5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QIHNMGOSNXQDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2/c9-7(10)5-1-4(2-14)3-15-6(5)8(11,12)13/h1,3,7H.
What are the key properties of 5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
5-(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 5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 134671200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).