9-hydroxypyrido[1,2-a]pyrimidin-4-one

C8H6N2O2 — CID 11819345

IUPAC9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(O)cccn12
InChIInChI=1S/C8H6N2O2/c11-6-2-1-5-10-7(12)3-4-9-8(6)10/h1-5,11H
InChIKeyUTKXTVQYIICBMQ-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.40
Rot. Bonds

About 9-hydroxypyrido[1,2-a]pyrimidin-4-one

9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 11819345) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID11819345
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(O)cccn12
InChIInChI=1S/C8H6N2O2/c11-6-2-1-5-10-7(12)3-4-9-8(6)10/h1-5,11H
InChIKeyUTKXTVQYIICBMQ-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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Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2-Hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135413477
Cambridge id 5110229
CID 2827825
Dock5-IN-1
CID 2827827
9-Hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 796646
7-bromo-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135517940
7-fluoro-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 136629818
3-Chloro-9-hydroxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 288320
Cambridge id 5786314
CID 870036
9-Hydroxy-4H-pyrimido[1,6-a]pyrimidin-4-one
CID 14294849
2-Methyl-3-hydroxy-4h-pyrido[1,2-a]pyrimidin-4-one
CID 12089275
9-Hydroxy-2,3-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 18918850

Frequently Asked Questions

What is the IUPAC name of 9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 11819345) is 9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxypyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2c(O)cccn12.
What is the InChIKey of 9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UTKXTVQYIICBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-6-2-1-5-10-7(12)3-4-9-8(6)10/h1-5,11H.
What are the key properties of 9-hydroxypyrido[1,2-a]pyrimidin-4-one?
9-hydroxypyrido[1,2-a]pyrimidin-4-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 9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11819345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).