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

C8H5F3N2O — CID 14836987

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile
SMILESN#CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)6-1-2-7(14)13(5-6)4-3-12/h1-2,5H,4H2
InChIKeyOQRWILKBBAXQDQ-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.39
Rot. Bonds1

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

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile (PubChem CID 14836987) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile
PubChem CID14836987
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile
SMILESN#CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)6-1-2-7(14)13(5-6)4-3-12/h1-2,5H,4H2
InChIKeyOQRWILKBBAXQDQ-UHFFFAOYSA-N
XLogP1.39
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile (CID 14836987) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile is N#CCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile?
The InChIKey is OQRWILKBBAXQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)6-1-2-7(14)13(5-6)4-3-12/h1-2,5H,4H2.
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile has a molecular weight of 202.13 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetonitrile is sourced from PubChem (CID 14836987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).