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

C9H7BrN2O2 — CID 118617198

IUPAC7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C9H7BrN2O2/c1-14-7-4-11-8-3-2-6(10)5-12(8)9(7)13/h2-5H,1H3
InChIKeyYARFHMJBLQOKCR-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.47
Rot. Bonds1

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

7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 118617198) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID118617198
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C9H7BrN2O2/c1-14-7-4-11-8-3-2-6(10)5-12(8)9(7)13/h2-5H,1H3
InChIKeyYARFHMJBLQOKCR-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 7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one (CID 118617198) is 7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one is COc1cnc2ccc(Br)cn2c1=O.
What is the InChIKey of 7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YARFHMJBLQOKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-7-4-11-8-3-2-6(10)5-12(8)9(7)13/h2-5H,1H3.
What are the key properties of 7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-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 7-bromo-3-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118617198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).