3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one

C8H3BrCl2N2O — CID 170701497

IUPAC3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)nc2ccc(Cl)cn12
InChIInChI=1S/C8H3BrCl2N2O/c9-6-7(11)12-5-2-1-4(10)3-13(5)8(6)14/h1-3H
InChIKeyOLMNJPHTNIXRBU-UHFFFAOYSA-N
MW293.94 g/mol
LogP2.76
Rot. Bonds

About 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one

3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 170701497) has the molecular formula C8H3BrCl2N2O and a molecular weight of 293.94 g/mol. Its IUPAC name is 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one
PubChem CID170701497
Molecular FormulaC8H3BrCl2N2O
Molecular Weight293.94 g/mol
Exact Mass291.88
IUPAC Name3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)nc2ccc(Cl)cn12
InChIInChI=1S/C8H3BrCl2N2O/c9-6-7(11)12-5-2-1-4(10)3-13(5)8(6)14/h1-3H
InChIKeyOLMNJPHTNIXRBU-UHFFFAOYSA-N
XLogP2.76
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.94
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2,7-dichloropyrido[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

2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 94959
7-bromo-3-chloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 880093
7-Bromo-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 776362
2,7-dichloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 7131618
7-bromo-2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 3614131
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-bromo-2-(chloromethyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 66831405
3-Bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 84703568
2-chloro-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 89740662
7-Bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one
CID 118617160

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one (CID 170701497) is 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one is O=c1c(Br)c(Cl)nc2ccc(Cl)cn12.
What is the InChIKey of 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OLMNJPHTNIXRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2O/c9-6-7(11)12-5-2-1-4(10)3-13(5)8(6)14/h1-3H.
What are the key properties of 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one?
3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 293.94 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170701497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).