5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile

C18H19FN4O2 — CID 158037580

IUPAC5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(F)c(C)n(C)c(=O)c1C#N.Cc1cc(C)n(C)c(=O)c1C#N
InChIInChI=1S/C9H9FN2O.C9H10N2O/c1-5-7(4-11)9(13)12(3)6(2)8(5)10;1-6-4-7(2)11(3)9(12)8(6)5-10/h1-3H3;4H,1-3H3
InChIKeyFHYHJUUIFDQTLP-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.89
Rot. Bonds

About 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile

5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 158037580) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
PubChem CID158037580
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(F)c(C)n(C)c(=O)c1C#N.Cc1cc(C)n(C)c(=O)c1C#N
InChIInChI=1S/C9H9FN2O.C9H10N2O/c1-5-7(4-11)9(13)12(3)6(2)8(5)10;1-6-4-7(2)11(3)9(12)8(6)5-10/h1-3H3;4H,1-3H3
InChIKeyFHYHJUUIFDQTLP-UHFFFAOYSA-N
XLogP1.89
TPSA91.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-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-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile (CID 158037580) is 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile is Cc1c(F)c(C)n(C)c(=O)c1C#N.Cc1cc(C)n(C)c(=O)c1C#N.
What is the InChIKey of 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is FHYHJUUIFDQTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O.C9H10N2O/c1-5-7(4-11)9(13)12(3)6(2)8(5)10;1-6-4-7(2)11(3)9(12)8(6)5-10/h1-3H3;4H,1-3H3.
What are the key properties of 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile?
5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 342.37 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 158037580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).