2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile

C9H5F5N2 — CID 171029480

IUPAC2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)ncc1C(F)F
InChIInChI=1S/C9H5F5N2/c10-8(11)6-4-16-7(9(12,13)14)3-5(6)1-2-15/h3-4,8H,1H2
InChIKeyNCVGRLWPEOGSCN-UHFFFAOYSA-N
MW236.14 g/mol
LogP3.10
Rot. Bonds2

About 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile

2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 171029480) has the molecular formula C9H5F5N2 and a molecular weight of 236.14 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID171029480
Molecular FormulaC9H5F5N2
Molecular Weight236.14 g/mol
Exact Mass236.04
IUPAC Name2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)ncc1C(F)F
InChIInChI=1S/C9H5F5N2/c10-8(11)6-4-16-7(9(12,13)14)3-5(6)1-2-15/h3-4,8H,1H2
InChIKeyNCVGRLWPEOGSCN-UHFFFAOYSA-N
XLogP3.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131168140
4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134683659
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118820470
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
2-[5-phenyl-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133096208
2-[4-nitro-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095862
2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095880
2-[3-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685821
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133100295
2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685819
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119006914
2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104127

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile (CID 171029480) is 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1cc(C(F)(F)F)ncc1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is NCVGRLWPEOGSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2/c10-8(11)6-4-16-7(9(12,13)14)3-5(6)1-2-15/h3-4,8H,1H2.
What are the key properties of 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile has a molecular weight of 236.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 171029480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).