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

C7H3F3N2O2 — CID 119022304

IUPAC4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)cc(OC(F)(F)F)[nH]1
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-6-2-5(13)1-4(3-11)12-6/h1-2H,(H,12,13)
InChIKeyUDFIJDAELCXDCL-UHFFFAOYSA-N
MW204.11 g/mol
LogP1.15
Rot. Bonds1

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

4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile (PubChem CID 119022304) has the molecular formula C7H3F3N2O2 and a molecular weight of 204.11 g/mol. Its IUPAC name is 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
PubChem CID119022304
Molecular FormulaC7H3F3N2O2
Molecular Weight204.11 g/mol
Exact Mass204.01
IUPAC Name4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)cc(OC(F)(F)F)[nH]1
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-6-2-5(13)1-4(3-11)12-6/h1-2H,(H,12,13)
InChIKeyUDFIJDAELCXDCL-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 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-fluoro-4-oxo-1H-pyridine-2-carbonitrile
CID 130822676
3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131399939
2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
CID 130091811
2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130088835
3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134658855
3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131168157
3-bromo-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 131443395
6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 133087830
6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131282215
3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111059
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134677601

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile?
The IUPAC name of 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile (CID 119022304) is 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile?
The canonical SMILES for 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile is N#Cc1cc(=O)cc(OC(F)(F)F)[nH]1.
What is the InChIKey of 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile?
The InChIKey is UDFIJDAELCXDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O2/c8-7(9,10)14-6-2-5(13)1-4(3-11)12-6/h1-2H,(H,12,13).
What are the key properties of 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile?
4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-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 4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 119022304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).