3-hydroxypyrido[1,2-a]pyrimidin-2-one

C8H6N2O2 — CID 54521690

IUPAC3-hydroxypyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1O
InChIInChI=1S/C8H6N2O2/c11-6-5-10-4-2-1-3-7(10)9-8(6)12/h1-5,11H
InChIKeyYQGMWTQZBULHSY-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.40
Rot. Bonds

About 3-hydroxypyrido[1,2-a]pyrimidin-2-one

3-hydroxypyrido[1,2-a]pyrimidin-2-one (PubChem CID 54521690) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-hydroxypyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-hydroxypyrido[1,2-a]pyrimidin-2-one
PubChem CID54521690
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name3-hydroxypyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1O
InChIInChI=1S/C8H6N2O2/c11-6-5-10-4-2-1-3-7(10)9-8(6)12/h1-5,11H
InChIKeyYQGMWTQZBULHSY-UHFFFAOYSA-N
XLogP0.40
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-hydroxypyrido[1,2-a]pyrimidin-2-one (CID 54521690) is 3-hydroxypyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-hydroxypyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-hydroxypyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccccn2cc1O.
What is the InChIKey of 3-hydroxypyrido[1,2-a]pyrimidin-2-one?
The InChIKey is YQGMWTQZBULHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-6-5-10-4-2-1-3-7(10)9-8(6)12/h1-5,11H.
What are the key properties of 3-hydroxypyrido[1,2-a]pyrimidin-2-one?
3-hydroxypyrido[1,2-a]pyrimidin-2-one has a molecular weight of 162.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 54521690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).