4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one

C8H5N2O2- — CID 102246716

IUPAC4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one
SMILESO=c1[c-]c(O)n2ccccc2n1
InChIInChI=1S/C8H5N2O2/c11-7-5-8(12)10-4-2-1-3-6(10)9-7/h1-4,12H/q-1
InChIKeyQGIGTCAGFRFOHF-UHFFFAOYSA-N
MW161.14 g/mol
LogP0.20
Rot. Bonds

About 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one

4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one (PubChem CID 102246716) has the molecular formula C8H5N2O2- and a molecular weight of 161.14 g/mol. Its IUPAC name is 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one.

Molecular Properties

Compound Name4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one
PubChem CID102246716
Molecular FormulaC8H5N2O2-
Molecular Weight161.14 g/mol
Exact Mass161.04
IUPAC Name4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one
SMILESO=c1[c-]c(O)n2ccccc2n1
InChIInChI=1S/C8H5N2O2/c11-7-5-8(12)10-4-2-1-3-6(10)9-7/h1-4,12H/q-1
InChIKeyQGIGTCAGFRFOHF-UHFFFAOYSA-N
XLogP0.20
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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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
2H-pyrido[1,2-a]pyrimidin-2-one
CID 423945
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
4-Amino-2h-pyrido-[1,2-a]pyrimidin-2-one
CID 2447710
2-Hydroxy-1-(2,2,2-trifluoroethyl)pyrido[1,2-a]pyrimidin-1-ium-4-one
CID 68750675
4-Fluoropyrido[1,2-a]pyrimidin-2-one
CID 85661536
Pyrido[1,2-a]pyrimidin-2-one;hydrobromide
CID 23460792
3-Fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one
CID 14028557
4-Chloropyrido[1,2-a]pyrimidin-2-one
CID 46707323
3-Hydroxypyrido[1,2-a]pyrimidin-2-one
CID 54521690

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one?
The IUPAC name of 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one (CID 102246716) is 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one.
What is the SMILES notation for 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one?
The canonical SMILES for 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one is O=c1[c-]c(O)n2ccccc2n1.
What is the InChIKey of 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one?
The InChIKey is QGIGTCAGFRFOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N2O2/c11-7-5-8(12)10-4-2-1-3-6(10)9-7/h1-4,12H/q-1.
What are the key properties of 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one?
4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one has a molecular weight of 161.14 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one is sourced from PubChem (CID 102246716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).