7-bromopyrido[1,2-a]pyrimidin-4-one

C8H5BrN2O — CID 23246545

IUPAC7-bromopyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2ccc(Br)cn12
InChIInChI=1S/C8H5BrN2O/c9-6-1-2-7-10-4-3-8(12)11(7)5-6/h1-5H
InChIKeyDYXIWCORFSTEHG-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.46
Rot. Bonds

About 7-bromopyrido[1,2-a]pyrimidin-4-one

7-bromopyrido[1,2-a]pyrimidin-4-one (PubChem CID 23246545) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 7-bromopyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromopyrido[1,2-a]pyrimidin-4-one
PubChem CID23246545
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name7-bromopyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2ccc(Br)cn12
InChIInChI=1S/C8H5BrN2O/c9-6-1-2-7-10-4-3-8(12)11(7)5-6/h1-5H
InChIKeyDYXIWCORFSTEHG-UHFFFAOYSA-N
XLogP1.46
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromopyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromopyrido[1,2-a]pyrimidin-4-one (CID 23246545) is 7-bromopyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromopyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromopyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2ccc(Br)cn12.
What is the InChIKey of 7-bromopyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DYXIWCORFSTEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-6-1-2-7-10-4-3-8(12)11(7)5-6/h1-5H.
What are the key properties of 7-bromopyrido[1,2-a]pyrimidin-4-one?
7-bromopyrido[1,2-a]pyrimidin-4-one has a molecular weight of 225.05 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromopyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 23246545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).