2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile

C14H8F4N2O — CID 133094175

IUPAC2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(F)c(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H8F4N2O/c15-11-6-5-9(7-8-19)20-13(11)10-3-1-2-4-12(10)21-14(16,17)18/h1-6H,7H2
InChIKeyWIAVXNDCAGOYID-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.85
Rot. Bonds3

About 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile

2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile (PubChem CID 133094175) has the molecular formula C14H8F4N2O and a molecular weight of 296.22 g/mol. Its IUPAC name is 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
PubChem CID133094175
Molecular FormulaC14H8F4N2O
Molecular Weight296.22 g/mol
Exact Mass296.06
IUPAC Name2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(F)c(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H8F4N2O/c15-11-6-5-9(7-8-19)20-13(11)10-3-1-2-4-12(10)21-14(16,17)18/h1-6H,7H2
InChIKeyWIAVXNDCAGOYID-UHFFFAOYSA-N
XLogP3.85
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-fluoro-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133093982
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 133089281
2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133093995
2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094996
2-[3-fluoro-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094183
2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 118822081
2-[6-chloro-3-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094133
2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133086807
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile (CID 133094175) is 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile is N#CCc1ccc(F)c(-c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile?
The InChIKey is WIAVXNDCAGOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O/c15-11-6-5-9(7-8-19)20-13(11)10-3-1-2-4-12(10)21-14(16,17)18/h1-6H,7H2.
What are the key properties of 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile?
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile has a molecular weight of 296.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).