2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile

C9H4F6N2O — CID 14837010

IUPAC2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile
SMILESN#CCn1cc(C(F)(F)F)cc(C(F)(F)F)c1=O
InChIInChI=1S/C9H4F6N2O/c10-8(11,12)5-3-6(9(13,14)15)7(18)17(4-5)2-1-16/h3-4H,2H2
InChIKeyJPVOMOKXELWPIL-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.41
Rot. Bonds1

About 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile

2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile (PubChem CID 14837010) has the molecular formula C9H4F6N2O and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile
PubChem CID14837010
Molecular FormulaC9H4F6N2O
Molecular Weight270.13 g/mol
Exact Mass270.02
IUPAC Name2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile
SMILESN#CCn1cc(C(F)(F)F)cc(C(F)(F)F)c1=O
InChIInChI=1S/C9H4F6N2O/c10-8(11,12)5-3-6(9(13,14)15)7(18)17(4-5)2-1-16/h3-4H,2H2
InChIKeyJPVOMOKXELWPIL-UHFFFAOYSA-N
XLogP2.41
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile (CID 14837010) is 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile is N#CCn1cc(C(F)(F)F)cc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile?
The InChIKey is JPVOMOKXELWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2O/c10-8(11,12)5-3-6(9(13,14)15)7(18)17(4-5)2-1-16/h3-4H,2H2.
What are the key properties of 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile?
2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile has a molecular weight of 270.13 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetonitrile is sourced from PubChem (CID 14837010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).