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

C7H3F3N2O — CID 105442935

IUPAC6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)ccc1C(F)(F)F
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)4-1-2-6(13)12-5(4)3-11/h1-2H,(H,12,13)
InChIKeyFHNYWEJSGVJNOH-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.27
Rot. Bonds

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

6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile (PubChem CID 105442935) has the molecular formula C7H3F3N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile
PubChem CID105442935
Molecular FormulaC7H3F3N2O
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)ccc1C(F)(F)F
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)4-1-2-6(13)12-5(4)3-11/h1-2H,(H,12,13)
InChIKeyFHNYWEJSGVJNOH-UHFFFAOYSA-N
XLogP1.27
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-oxo-3-(trifluoromethyl)-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

5-(1,1-difluoroethyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 21690634
5-Methyl-6-(trifluoromethyl)pyridin-2-ol
CID 58172802
6-Hydroxy-2-(trifluoromethyl)nicotinonitrile
CID 83402046
3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 91217060
6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535
5,6-bis(trifluoromethyl)-1H-pyridin-2-one
CID 131282981
5-Amino-6-oxo-3-(trifluoromethyl)-1,6-dihydropyridine-2-carbonitrile
CID 141138151
6-Methyl-5-(trifluoromethyl)pyridin-2-ol
CID 143625923
2-Methyl-6-oxo-5-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile
CID 146583678
6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 169835442
4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one
CID 173378849
6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 71628563

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The IUPAC name of 6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile (CID 105442935) is 6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The canonical SMILES for 6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)ccc1C(F)(F)F.
What is the InChIKey of 6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The InChIKey is FHNYWEJSGVJNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O/c8-7(9,10)4-1-2-6(13)12-5(4)3-11/h1-2H,(H,12,13).
What are the key properties of 6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile has a molecular weight of 188.11 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 105442935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).