2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde

C10H11ClN2O2 — CID 83892712

IUPAC2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
SMILESO=CCc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H11ClN2O2/c11-9-7(4-6-14)10(15)13-5-2-1-3-8(13)12-9/h6H,1-5H2
InChIKeyLPRCGHGEYUQNAH-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.97
Rot. Bonds2

About 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde

2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde (PubChem CID 83892712) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
PubChem CID83892712
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
SMILESO=CCc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H11ClN2O2/c11-9-7(4-6-14)10(15)13-5-2-1-3-8(13)12-9/h6H,1-5H2
InChIKeyLPRCGHGEYUQNAH-UHFFFAOYSA-N
XLogP0.97
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.97
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-(2-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
CID 10214467
2-(4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)propanal
CID 88027457
2-(2-chloro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-3-yl)acetaldehyde
CID 83885894
2-Chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 83885906
3-Acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83892713
3-(2-Aminoethyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83893064
2-Chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83898980

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde?
The IUPAC name of 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde (CID 83892712) is 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde?
The canonical SMILES for 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde is O=CCc1c(Cl)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde?
The InChIKey is LPRCGHGEYUQNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-9-7(4-6-14)10(15)13-5-2-1-3-8(13)12-9/h6H,1-5H2.
What are the key properties of 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde?
2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde has a molecular weight of 226.66 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde is sourced from PubChem (CID 83892712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).