7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

C9H7BrN2O2 — CID 21436701

IUPAC7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(Br)cc(O)c2n1
InChIInChI=1S/C9H7BrN2O2/c1-5-2-8(14)12-4-6(10)3-7(13)9(12)11-5/h2-4,13H,1H3
InChIKeyZMKOHOPBCKNGDT-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.47
Rot. Bonds

About 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 21436701) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID21436701
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(Br)cc(O)c2n1
InChIInChI=1S/C9H7BrN2O2/c1-5-2-8(14)12-4-6(10)3-7(13)9(12)11-5/h2-4,13H,1H3
InChIKeyZMKOHOPBCKNGDT-UHFFFAOYSA-N
XLogP1.47
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 21436701) is 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2cc(Br)cc(O)c2n1.
What is the InChIKey of 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZMKOHOPBCKNGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-5-2-8(14)12-4-6(10)3-7(13)9(12)11-5/h2-4,13H,1H3.
What are the key properties of 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 255.07 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 21436701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).