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

C9H4F6N2 — CID 118820470

IUPAC2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)nc(C(F)F)c1F
InChIInChI=1S/C9H4F6N2/c10-6-4(1-2-16)3-5(9(13,14)15)17-7(6)8(11)12/h3,8H,1H2
InChIKeyWEMMQQMSDVGDHW-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.24
Rot. Bonds2

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

2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 118820470) has the molecular formula C9H4F6N2 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID118820470
Molecular FormulaC9H4F6N2
Molecular Weight254.13 g/mol
Exact Mass254.03
IUPAC Name2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)nc(C(F)F)c1F
InChIInChI=1S/C9H4F6N2/c10-6-4(1-2-16)3-5(9(13,14)15)17-7(6)8(11)12/h3,8H,1H2
InChIKeyWEMMQQMSDVGDHW-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

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Related Compounds

2-[2-(difluoromethyl)-3,6-difluoro-4-pyridinyl]acetonitrile
CID 130099810
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
2-[6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820361
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134672891
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118848647
2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131168140
2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetonitrile
CID 130099811
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile (CID 118820470) is 2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1cc(C(F)(F)F)nc(C(F)F)c1F.
What is the InChIKey of 2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is WEMMQQMSDVGDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2/c10-6-4(1-2-16)3-5(9(13,14)15)17-7(6)8(11)12/h3,8H,1H2.
What are the key properties of 2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile?
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-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-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118820470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).