1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

C9H7F3N2O2 — CID 139839216

IUPAC1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C9H7F3N2O2/c1-2-14-7(15)3-6(9(10,11)12)5(4-13)8(14)16/h3,16H,2H2,1H3
InChIKeyCMLUAZAWHHOGBG-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.46
Rot. Bonds1

About 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 139839216) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID139839216
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C9H7F3N2O2/c1-2-14-7(15)3-6(9(10,11)12)5(4-13)8(14)16/h3,16H,2H2,1H3
InChIKeyCMLUAZAWHHOGBG-UHFFFAOYSA-N
XLogP1.46
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)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 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 139839216) is 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is CCn1c(O)c(C#N)c(C(F)(F)F)cc1=O.
What is the InChIKey of 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is CMLUAZAWHHOGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c1-2-14-7(15)3-6(9(10,11)12)5(4-13)8(14)16/h3,16H,2H2,1H3.
What are the key properties of 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 232.16 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 139839216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).