2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile

C9H4F6N2 — CID 171029764

IUPAC2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)cc(C(F)(F)F)c1F
InChIInChI=1S/C9H4F6N2/c10-7-4(9(13,14)15)3-6(8(11)12)17-5(7)1-2-16/h3,8H,1H2
InChIKeyYJJSFMBUDSBPQK-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.24
Rot. Bonds2

About 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 171029764) has the molecular formula C9H4F6N2 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID171029764
Molecular FormulaC9H4F6N2
Molecular Weight254.13 g/mol
Exact Mass254.03
IUPAC Name2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)cc(C(F)(F)F)c1F
InChIInChI=1S/C9H4F6N2/c10-7-4(9(13,14)15)3-6(8(11)12)17-5(7)1-2-16/h3,8H,1H2
InChIKeyYJJSFMBUDSBPQK-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile 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

2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
2-[6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820361
6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridin-2-amine
CID 119007069
2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118845077
2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118842791
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
2-[6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133096243
2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134671001
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134672673

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 171029764) is 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)F)cc(C(F)(F)F)c1F.
What is the InChIKey of 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is YJJSFMBUDSBPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2/c10-7-4(9(13,14)15)3-6(8(11)12)17-5(7)1-2-16/h3,8H,1H2.
What are the key properties of 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 254.13 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 171029764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).