5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C7H2ClF3N2O — CID 175992307

IUPAC5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(Cl)c1C(F)(F)F
InChIInChI=1S/C7H2ClF3N2O/c8-5-4(7(9,10)11)3(1-12)2-13-6(5)14/h2H,(H,13,14)
InChIKeyNOSBQTARNIDISY-UHFFFAOYSA-N
MW222.55 g/mol
LogP1.92
Rot. Bonds

About 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 175992307) has the molecular formula C7H2ClF3N2O and a molecular weight of 222.55 g/mol. Its IUPAC name is 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID175992307
Molecular FormulaC7H2ClF3N2O
Molecular Weight222.55 g/mol
Exact Mass221.98
IUPAC Name5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(Cl)c1C(F)(F)F
InChIInChI=1S/C7H2ClF3N2O/c8-5-4(7(9,10)11)3(1-12)2-13-6(5)14/h2H,(H,13,14)
InChIKeyNOSBQTARNIDISY-UHFFFAOYSA-N
XLogP1.92
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.55
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-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 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 175992307) is 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(=O)c(Cl)c1C(F)(F)F.
What is the InChIKey of 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is NOSBQTARNIDISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2O/c8-5-4(7(9,10)11)3(1-12)2-13-6(5)14/h2H,(H,13,14).
What are the key properties of 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 222.55 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 175992307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).