9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C9H9ClN2O2 — CID 2827825

IUPAC9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(=O)n2cccc(O)c2n1.Cl
InChIInChI=1S/C9H8N2O2.ClH/c1-6-5-8(13)11-4-2-3-7(12)9(11)10-6;/h2-5,12H,1H3;1H
InChIKeyBWZNJERERUMCEE-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.13
Rot. Bonds

About 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 2827825) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID2827825
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(=O)n2cccc(O)c2n1.Cl
InChIInChI=1S/C9H8N2O2.ClH/c1-6-5-8(13)11-4-2-3-7(12)9(11)10-6;/h2-5,12H,1H3;1H
InChIKeyBWZNJERERUMCEE-UHFFFAOYSA-N
XLogP1.13
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 2827825) is 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cc(=O)n2cccc(O)c2n1.Cl.
What is the InChIKey of 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is BWZNJERERUMCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.ClH/c1-6-5-8(13)11-4-2-3-7(12)9(11)10-6;/h2-5,12H,1H3;1H.
What are the key properties of 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 212.64 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 2827825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).