8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile

C11H6F3N3O — CID 15421983

IUPAC8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCc1ccn2c(=O)c(C#N)c(C(F)(F)F)nc2c1
InChIInChI=1S/C11H6F3N3O/c1-6-2-3-17-8(4-6)16-9(11(12,13)14)7(5-15)10(17)18/h2-4H,1H3
InChIKeyQARYIPOKBHPABE-UHFFFAOYSA-N
MW253.18 g/mol
LogP1.89
Rot. Bonds

About 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile

8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 15421983) has the molecular formula C11H6F3N3O and a molecular weight of 253.18 g/mol. Its IUPAC name is 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID15421983
Molecular FormulaC11H6F3N3O
Molecular Weight253.18 g/mol
Exact Mass253.05
IUPAC Name8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCc1ccn2c(=O)c(C#N)c(C(F)(F)F)nc2c1
InChIInChI=1S/C11H6F3N3O/c1-6-2-3-17-8(4-6)16-9(11(12,13)14)7(5-15)10(17)18/h2-4H,1H3
InChIKeyQARYIPOKBHPABE-UHFFFAOYSA-N
XLogP1.89
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-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 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile (CID 15421983) is 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile is Cc1ccn2c(=O)c(C#N)c(C(F)(F)F)nc2c1.
What is the InChIKey of 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is QARYIPOKBHPABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O/c1-6-2-3-17-8(4-6)16-9(11(12,13)14)7(5-15)10(17)18/h2-4H,1H3.
What are the key properties of 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile?
8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 253.18 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 15421983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).