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

C14H9F3N2 — CID 133095880

IUPAC2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)13-8-12(10-4-2-1-3-5-10)11(6-7-18)9-19-13/h1-5,8-9H,6H2
InChIKeyLXCJQRQWNAAZFW-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.83
Rot. Bonds2

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

2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 133095880) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID133095880
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)13-8-12(10-4-2-1-3-5-10)11(6-7-18)9-19-13/h1-5,8-9H,6H2
InChIKeyLXCJQRQWNAAZFW-UHFFFAOYSA-N
XLogP3.83
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-phenyl-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133096208
2-(2-fluoro-5-phenyl-4-pyridinyl)acetonitrile
CID 131870326
2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131168140
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
2-[4-nitro-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095862
2-(2-fluoro-5-phenyl-3-pyridinyl)acetonitrile
CID 131870328
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133096204
2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134629149
2-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316257
2-(2,3-diphenylphenyl)acetonitrile
CID 151704246
2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870604

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 133095880) is 2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of 2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is LXCJQRQWNAAZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)13-8-12(10-4-2-1-3-5-10)11(6-7-18)9-19-13/h1-5,8-9H,6H2.
What are the key properties of 2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 262.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133095880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).