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

C8H5F3N2O — CID 130769264

IUPAC2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]ccc(=O)c1C(F)(F)F
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-5(1-3-12)13-4-2-6(7)14/h2,4H,1H2,(H,13,14)
InChIKeyULIICSKCIBMBQQ-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.46
Rot. Bonds1

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

2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile (PubChem CID 130769264) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
PubChem CID130769264
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]ccc(=O)c1C(F)(F)F
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-5(1-3-12)13-4-2-6(7)14/h2,4H,1H2,(H,13,14)
InChIKeyULIICSKCIBMBQQ-UHFFFAOYSA-N
XLogP1.46
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 133102528
2-(3-formyl-1H-pyrrol-2-yl)acetonitrile
CID 55300136
3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 133092058
2-[5-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetonitrile
CID 133102304
2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091724
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133092470
2-[3,6-dichloro-2-(trifluoromethyl)phenyl]acetonitrile
CID 171009970
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 119017841
3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
CID 69022654

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile (CID 130769264) is 2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile is N#CCc1[nH]ccc(=O)c1C(F)(F)F.
What is the InChIKey of 2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile?
The InChIKey is ULIICSKCIBMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)7-5(1-3-12)13-4-2-6(7)14/h2,4H,1H2,(H,13,14).
What are the key properties of 2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile?
2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile has a molecular weight of 202.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 130769264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).