2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde

C9H9ClN2O2 — CID 83885906

IUPAC2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C9H9ClN2O2/c10-8-6(5-13)9(14)12-4-2-1-3-7(12)11-8/h5H,1-4H2
InChIKeyGGRZUYHXFLJPPX-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.05
Rot. Bonds1

About 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde

2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 83885906) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID83885906
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C9H9ClN2O2/c10-8-6(5-13)9(14)12-4-2-1-3-7(12)11-8/h5H,1-4H2
InChIKeyGGRZUYHXFLJPPX-UHFFFAOYSA-N
XLogP1.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 142685427
2-(2-Chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
CID 83892712
3-Acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83892713
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 105437397

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 83885906) is 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(Cl)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is GGRZUYHXFLJPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-8-6(5-13)9(14)12-4-2-1-3-7(12)11-8/h5H,1-4H2.
What are the key properties of 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 212.64 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 83885906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).