9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one

C8H4BrClN2O — CID 58430722

IUPAC9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(Br)cc(Cl)cn12
InChIInChI=1S/C8H4BrClN2O/c9-6-3-5(10)4-12-7(13)1-2-11-8(6)12/h1-4H
InChIKeyGJBSAYPPZFSSDM-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.11
Rot. Bonds

About 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one

9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 58430722) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one
PubChem CID58430722
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(Br)cc(Cl)cn12
InChIInChI=1S/C8H4BrClN2O/c9-6-3-5(10)4-12-7(13)1-2-11-8(6)12/h1-4H
InChIKeyGJBSAYPPZFSSDM-UHFFFAOYSA-N
XLogP2.11
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 94959
4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
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-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
8-Bromo-4H-pyrido(1,2-a)pyrimidin-4-one
CID 83892083
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
3-Bromo-7-chloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 13232920
3-Bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 84703568

Frequently Asked Questions

What is the IUPAC name of 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one (CID 58430722) is 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2c(Br)cc(Cl)cn12.
What is the InChIKey of 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GJBSAYPPZFSSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-6-3-5(10)4-12-7(13)1-2-11-8(6)12/h1-4H.
What are the key properties of 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one?
9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.49 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7-chloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58430722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).