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

C10H7ClN2O2 — CID 948036

IUPAC2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(Cl)nc12
InChIInChI=1S/C10H7ClN2O2/c1-6-3-2-4-13-9(6)12-8(11)7(5-14)10(13)15/h2-5H,1H3
InChIKeyGRPNAYGQWRHKDA-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.47
Rot. Bonds1

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

2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 948036) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID948036
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(Cl)nc12
InChIInChI=1S/C10H7ClN2O2/c1-6-3-2-4-13-9(6)12-8(11)7(5-14)10(13)15/h2-5H,1H3
InChIKeyGRPNAYGQWRHKDA-UHFFFAOYSA-N
XLogP1.47
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.47
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 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 948036) is 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cccn2c(=O)c(C=O)c(Cl)nc12.
What is the InChIKey of 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is GRPNAYGQWRHKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-6-3-2-4-13-9(6)12-8(11)7(5-14)10(13)15/h2-5H,1H3.
What are the key properties of 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 222.63 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 948036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).