9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C9H6N2O3 — CID 59256591

IUPAC9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H6N2O3/c12-5-6-4-10-8-7(13)2-1-3-11(8)9(6)14/h1-5,13H
InChIKeyPQKPDPAPAQUPDO-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.21
Rot. Bonds1

About 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 59256591) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID59256591
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H6N2O3/c12-5-6-4-10-8-7(13)2-1-3-11(8)9(6)14/h1-5,13H
InChIKeyPQKPDPAPAQUPDO-UHFFFAOYSA-N
XLogP0.21
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 59256591) is 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1cnc2c(O)cccn2c1=O.
What is the InChIKey of 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is PQKPDPAPAQUPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-5-6-4-10-8-7(13)2-1-3-11(8)9(6)14/h1-5,13H.
What are the key properties of 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 190.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 59256591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).