2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile

C7H3F3N2O2 — CID 130091811

IUPAC2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-5-2-1-4(3-11)6(13)12-5/h1-2H,(H,12,13)
InChIKeySTTKDUQZUHLIQZ-UHFFFAOYSA-N
MW204.11 g/mol
LogP1.15
Rot. Bonds1

About 2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile

2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile (PubChem CID 130091811) has the molecular formula C7H3F3N2O2 and a molecular weight of 204.11 g/mol. Its IUPAC name is 2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
PubChem CID130091811
Molecular FormulaC7H3F3N2O2
Molecular Weight204.11 g/mol
Exact Mass204.01
IUPAC Name2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-5-2-1-4(3-11)6(13)12-5/h1-2H,(H,12,13)
InChIKeySTTKDUQZUHLIQZ-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

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Related Compounds

3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131399939
6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131282215
4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 119022304
6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 83402046
2-fluoro-4-(trifluoromethoxy)benzonitrile
CID 66523443
3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131168157
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119014677
4-(trifluoromethoxy)naphthalene-1-carbonitrile
CID 118819268
5-iodo-2-(trifluoromethoxy)benzonitrile
CID 121228614
4-cyano-3-(trifluoromethoxy)benzoyl chloride
CID 171028559
3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111059

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile (CID 130091811) is 2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile is N#Cc1ccc(OC(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The InChIKey is STTKDUQZUHLIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O2/c8-7(9,10)14-5-2-1-4(3-11)6(13)12-5/h1-2H,(H,12,13).
What are the key properties of 2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-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-3-carbonitrile is sourced from PubChem (CID 130091811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).