3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

C9H6Br2N2O2 — CID 870023

IUPAC3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(O)c(Br)ccn2c(=O)c1Br
InChIInChI=1S/C9H6Br2N2O2/c1-4-6(11)9(15)13-3-2-5(10)7(14)8(13)12-4/h2-3,14H,1H3
InChIKeyKWSCHQWGCKXCMW-UHFFFAOYSA-N
MW333.97 g/mol
LogP2.23
Rot. Bonds

About 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 870023) has the molecular formula C9H6Br2N2O2 and a molecular weight of 333.97 g/mol. Its IUPAC name is 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID870023
Molecular FormulaC9H6Br2N2O2
Molecular Weight333.97 g/mol
Exact Mass331.88
IUPAC Name3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(O)c(Br)ccn2c(=O)c1Br
InChIInChI=1S/C9H6Br2N2O2/c1-4-6(11)9(15)13-3-2-5(10)7(14)8(13)12-4/h2-3,14H,1H3
InChIKeyKWSCHQWGCKXCMW-UHFFFAOYSA-N
XLogP2.23
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.97
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 870023) is 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(O)c(Br)ccn2c(=O)c1Br.
What is the InChIKey of 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KWSCHQWGCKXCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O2/c1-4-6(11)9(15)13-3-2-5(10)7(14)8(13)12-4/h2-3,14H,1H3.
What are the key properties of 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 333.97 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 870023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).