2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C15H10ClN3O2 — CID 794779

IUPAC2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(Nc2ccccc2Cl)nc2ccccn2c1=O
InChIInChI=1S/C15H10ClN3O2/c16-11-5-1-2-6-12(11)17-14-10(9-20)15(21)19-8-4-3-7-13(19)18-14/h1-9,17H
InChIKeyMXFVDRQFTYWPFW-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.90
Rot. Bonds3

About 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 794779) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID794779
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(Nc2ccccc2Cl)nc2ccccn2c1=O
InChIInChI=1S/C15H10ClN3O2/c16-11-5-1-2-6-12(11)17-14-10(9-20)15(21)19-8-4-3-7-13(19)18-14/h1-9,17H
InChIKeyMXFVDRQFTYWPFW-UHFFFAOYSA-N
XLogP2.90
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.90
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 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 794779) is 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(Nc2ccccc2Cl)nc2ccccn2c1=O.
What is the InChIKey of 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is MXFVDRQFTYWPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-5-1-2-6-12(11)17-14-10(9-20)15(21)19-8-4-3-7-13(19)18-14/h1-9,17H.
What are the key properties of 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 299.72 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 794779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).