3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C9H4BrF3N2O — CID 68854792

IUPAC3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H4BrF3N2O/c10-6-7(9(11,12)13)14-5-3-1-2-4-15(5)8(6)16/h1-4H
InChIKeyMKVGBHPWSHHJOB-UHFFFAOYSA-N
MW293.04 g/mol
LogP2.48
Rot. Bonds

About 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 68854792) has the molecular formula C9H4BrF3N2O and a molecular weight of 293.04 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID68854792
Molecular FormulaC9H4BrF3N2O
Molecular Weight293.04 g/mol
Exact Mass291.95
IUPAC Name3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H4BrF3N2O/c10-6-7(9(11,12)13)14-5-3-1-2-4-15(5)8(6)16/h1-4H
InChIKeyMKVGBHPWSHHJOB-UHFFFAOYSA-N
XLogP2.48
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one 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

7-Bromo-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 776362
7-Bromo-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291525
8-Bromo-4H-pyrido(1,2-a)pyrimidin-4-one
CID 83892083
8-bromo-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 146050186
3-Bromo-7-chloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 13232920
3-Methyl-2-(trifluoromethyl)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 59284058
3-bromo-2-(chloromethyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 66831405
3-Bromo-2-(trifluoromethyl)-4h-pyrido[1,2-a]pyrimidin-4-one hydrobromide
CID 68854791
3-bromo-2-butyl-8-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 68856711
2-(Trifluoromethyl)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 69324468
7-Chloro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401967
7-Bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401968

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 68854792) is 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(Br)c(C(F)(F)F)nc2ccccn12.
What is the InChIKey of 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MKVGBHPWSHHJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O/c10-6-7(9(11,12)13)14-5-3-1-2-4-15(5)8(6)16/h1-4H.
What are the key properties of 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 293.04 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 68854792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).