2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile

C14H9F3N2O — CID 133092012

IUPAC2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc(=O)[nH]cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)11-3-1-2-9(6-11)12-8-19-13(20)7-10(12)4-5-18/h1-3,6-8H,4H2,(H,19,20)
InChIKeyQZDCHZRJYICQPU-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.13
Rot. Bonds2

About 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile

2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile (PubChem CID 133092012) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile
PubChem CID133092012
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc(=O)[nH]cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)11-3-1-2-9(6-11)12-8-19-13(20)7-10(12)4-5-18/h1-3,6-8H,4H2,(H,19,20)
InChIKeyQZDCHZRJYICQPU-UHFFFAOYSA-N
XLogP3.13
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 133089773
2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 1488766
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134618427
2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134629064
2-[6-fluoro-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 133089736
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134630126
2-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316257
2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetonitrile
CID 62929478
2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
CID 173110698
3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118823023

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile?
The IUPAC name of 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile (CID 133092012) is 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile?
The canonical SMILES for 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile is N#CCc1cc(=O)[nH]cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile?
The InChIKey is QZDCHZRJYICQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)11-3-1-2-9(6-11)12-8-19-13(20)7-10(12)4-5-18/h1-3,6-8H,4H2,(H,19,20).
What are the key properties of 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile?
2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile has a molecular weight of 278.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile is sourced from PubChem (CID 133092012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).