8-bromopyrido[1,2-a]pyrimidin-4-one

C8H5BrN2O — CID 83892083

IUPAC8-bromopyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2cc(Br)ccn12
InChIInChI=1S/C8H5BrN2O/c9-6-2-4-11-7(5-6)10-3-1-8(11)12/h1-5H
InChIKeyCVYFPYSSTYXLMX-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.46
Rot. Bonds

About 8-bromopyrido[1,2-a]pyrimidin-4-one

8-bromopyrido[1,2-a]pyrimidin-4-one (PubChem CID 83892083) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 8-bromopyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromopyrido[1,2-a]pyrimidin-4-one
PubChem CID83892083
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name8-bromopyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2cc(Br)ccn12
InChIInChI=1S/C8H5BrN2O/c9-6-2-4-11-7(5-6)10-3-1-8(11)12/h1-5H
InChIKeyCVYFPYSSTYXLMX-UHFFFAOYSA-N
XLogP1.46
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-bromopyrido[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
4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
2-Hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135413477
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
2H-pyrido[1,2-a]pyrimidin-2-one
CID 423945
7-Bromo-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291525
7-bromo-2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 3614131
7-bromo-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135517940
8-bromo-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 146050186
8-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529101

Frequently Asked Questions

What is the IUPAC name of 8-bromopyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-bromopyrido[1,2-a]pyrimidin-4-one (CID 83892083) is 8-bromopyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-bromopyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-bromopyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2cc(Br)ccn12.
What is the InChIKey of 8-bromopyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CVYFPYSSTYXLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-6-2-4-11-7(5-6)10-3-1-8(11)12/h1-5H.
What are the key properties of 8-bromopyrido[1,2-a]pyrimidin-4-one?
8-bromopyrido[1,2-a]pyrimidin-4-one has a molecular weight of 225.05 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromopyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83892083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).