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

C8H4BrClN2O — CID 84709899

IUPAC7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cl)cnc2ccc(Br)cn12
InChIInChI=1S/C8H4BrClN2O/c9-5-1-2-7-11-3-6(10)8(13)12(7)4-5/h1-4H
InChIKeyTUQIIOQPLLBIJV-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.11
Rot. Bonds

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

7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 84709899) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one
PubChem CID84709899
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cl)cnc2ccc(Br)cn12
InChIInChI=1S/C8H4BrClN2O/c9-5-1-2-7-11-3-6(10)8(13)12(7)4-5/h1-4H
InChIKeyTUQIIOQPLLBIJV-UHFFFAOYSA-N
XLogP2.11
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one (CID 84709899) is 7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one is O=c1c(Cl)cnc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is TUQIIOQPLLBIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-5-1-2-7-11-3-6(10)8(13)12(7)4-5/h1-4H.
What are the key properties of 7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.49 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 84709899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).