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

C9H6BrClN2O — CID 880093

IUPAC7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(Br)cn2c(=O)c1Cl
InChIInChI=1S/C9H6BrClN2O/c1-5-8(11)9(14)13-4-6(10)2-3-7(13)12-5/h2-4H,1H3
InChIKeyOJCXNCYFGTVCMB-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.42
Rot. Bonds

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

7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 880093) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID880093
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(Br)cn2c(=O)c1Cl
InChIInChI=1S/C9H6BrClN2O/c1-5-8(11)9(14)13-4-6(10)2-3-7(13)12-5/h2-4H,1H3
InChIKeyOJCXNCYFGTVCMB-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 880093) is 7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccc(Br)cn2c(=O)c1Cl.
What is the InChIKey of 7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OJCXNCYFGTVCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c1-5-8(11)9(14)13-4-6(10)2-3-7(13)12-5/h2-4H,1H3.
What are the key properties of 7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-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 7-bromo-3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 880093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).