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

C9H6BrClN2O — CID 67549889

IUPAC3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(Cl)cn2c(=O)c1Br
InChIInChI=1S/C9H6BrClN2O/c1-5-8(10)9(14)13-4-6(11)2-3-7(13)12-5/h2-4H,1H3
InChIKeyLLRBECIBALWKLP-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.42
Rot. Bonds

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

3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 67549889) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID67549889
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(Cl)cn2c(=O)c1Br
InChIInChI=1S/C9H6BrClN2O/c1-5-8(10)9(14)13-4-6(11)2-3-7(13)12-5/h2-4H,1H3
InChIKeyLLRBECIBALWKLP-UHFFFAOYSA-N
XLogP2.42
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.42
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
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
7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 4413815
2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 5155027
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
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
8-bromo-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 146050186
3-chloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2774831
3,7-dichloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 789976

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 67549889) is 3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccc(Cl)cn2c(=O)c1Br.
What is the InChIKey of 3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LLRBECIBALWKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c1-5-8(10)9(14)13-4-6(11)2-3-7(13)12-5/h2-4H,1H3.
What are the key properties of 3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.52 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67549889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).