7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C9H8BrClN2O — CID 5342811

IUPAC7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(=O)n2cc(Br)ccc2n1.Cl
InChIInChI=1S/C9H7BrN2O.ClH/c1-6-4-9(13)12-5-7(10)2-3-8(12)11-6;/h2-5H,1H3;1H
InChIKeyAYBGPVFKVCEUNW-UHFFFAOYSA-N
MW275.53 g/mol
LogP2.19
Rot. Bonds

About 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 5342811) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID5342811
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(=O)n2cc(Br)ccc2n1.Cl
InChIInChI=1S/C9H7BrN2O.ClH/c1-6-4-9(13)12-5-7(10)2-3-8(12)11-6;/h2-5H,1H3;1H
InChIKeyAYBGPVFKVCEUNW-UHFFFAOYSA-N
XLogP2.19
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
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-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 5155027
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
4-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 594758
7-Bromo-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291525
2-(aminomethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 47003241
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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 5342811) is 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cc(=O)n2cc(Br)ccc2n1.Cl.
What is the InChIKey of 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is AYBGPVFKVCEUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O.ClH/c1-6-4-9(13)12-5-7(10)2-3-8(12)11-6;/h2-5H,1H3;1H.
What are the key properties of 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 275.53 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 5342811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).