2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile

C14H9F3N2O — CID 134627473

IUPAC2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2cccc(OC(F)(F)F)c2)ccn1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)20-13-3-1-2-10(9-13)11-5-7-19-12(8-11)4-6-18/h1-3,5,7-9H,4H2
InChIKeyARZNILZVSSFIMC-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.71
Rot. Bonds3

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

2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile (PubChem CID 134627473) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
PubChem CID134627473
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2cccc(OC(F)(F)F)c2)ccn1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)20-13-3-1-2-10(9-13)11-5-7-19-12(8-11)4-6-18/h1-3,5,7-9H,4H2
InChIKeyARZNILZVSSFIMC-UHFFFAOYSA-N
XLogP3.71
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-(trifluoromethoxy)phenyl]-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-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119009018
2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094235
3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
CID 134621656
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
5-[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477181
3-fluoro-5-[3-(trifluoromethoxy)phenyl]benzonitrile
CID 134626602
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile (CID 134627473) is 2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile is N#CCc1cc(-c2cccc(OC(F)(F)F)c2)ccn1.
What is the InChIKey of 2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile?
The InChIKey is ARZNILZVSSFIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)20-13-3-1-2-10(9-13)11-5-7-19-12(8-11)4-6-18/h1-3,5,7-9H,4H2.
What are the key properties of 2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile?
2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile has a molecular weight of 278.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134627473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).