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

C9H6N2O2 — CID 56773897

IUPAC4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde
SMILESO=Cc1cccn2c(=O)ccnc12
InChIInChI=1S/C9H6N2O2/c12-6-7-2-1-5-11-8(13)3-4-10-9(7)11/h1-6H
InChIKeyZYSIZKIHNYPAAM-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.51
Rot. Bonds1

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

4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde (PubChem CID 56773897) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde.

Molecular Properties

Compound Name4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde
PubChem CID56773897
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde
SMILESO=Cc1cccn2c(=O)ccnc12
InChIInChI=1S/C9H6N2O2/c12-6-7-2-1-5-11-8(13)3-4-10-9(7)11/h1-6H
InChIKeyZYSIZKIHNYPAAM-UHFFFAOYSA-N
XLogP0.51
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde?
The IUPAC name of 4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde (CID 56773897) is 4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde.
What is the SMILES notation for 4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde?
The canonical SMILES for 4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde is O=Cc1cccn2c(=O)ccnc12.
What is the InChIKey of 4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde?
The InChIKey is ZYSIZKIHNYPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-6-7-2-1-5-11-8(13)3-4-10-9(7)11/h1-6H.
What are the key properties of 4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde?
4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde has a molecular weight of 174.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde is sourced from PubChem (CID 56773897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).