3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one

C9H7BrN2O2 — CID 68853451

IUPAC3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1nc2ccccn2c(=O)c1Br
InChIInChI=1S/C9H7BrN2O2/c1-14-8-7(10)9(13)12-5-3-2-4-6(12)11-8/h2-5H,1H3
InChIKeyMDUQUIMNBQKUSM-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.47
Rot. Bonds1

About 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one

3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 68853451) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID68853451
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1nc2ccccn2c(=O)c1Br
InChIInChI=1S/C9H7BrN2O2/c1-14-8-7(10)9(13)12-5-3-2-4-6(12)11-8/h2-5H,1H3
InChIKeyMDUQUIMNBQKUSM-UHFFFAOYSA-N
XLogP1.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one (CID 68853451) is 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one is COc1nc2ccccn2c(=O)c1Br.
What is the InChIKey of 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MDUQUIMNBQKUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-8-7(10)9(13)12-5-3-2-4-6(12)11-8/h2-5H,1H3.
What are the key properties of 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 255.07 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 68853451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).