2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile

C7H3F3N2O2 — CID 118833502

IUPAC2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-6-2-4(3-11)1-5(13)12-6/h1-2H,(H,12,13)
InChIKeySXLNBPGQSJPWJW-UHFFFAOYSA-N
MW204.11 g/mol
LogP1.15
Rot. Bonds1

About 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile

2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (PubChem CID 118833502) has the molecular formula C7H3F3N2O2 and a molecular weight of 204.11 g/mol. Its IUPAC name is 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
PubChem CID118833502
Molecular FormulaC7H3F3N2O2
Molecular Weight204.11 g/mol
Exact Mass204.01
IUPAC Name2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-6-2-4(3-11)1-5(13)12-6/h1-2H,(H,12,13)
InChIKeySXLNBPGQSJPWJW-UHFFFAOYSA-N
XLogP1.15
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The IUPAC name of 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (CID 118833502) is 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The canonical SMILES for 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is N#Cc1cc(OC(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The InChIKey is SXLNBPGQSJPWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O2/c8-7(9,10)14-6-2-4(3-11)1-5(13)12-6/h1-2H,(H,12,13).
What are the key properties of 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile has a molecular weight of 204.11 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 118833502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).