2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal

C7H6Cl2N2O2 — CID 91443834

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal
SMILESCC(C=O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-4(3-12)11-7(13)6(9)5(8)2-10-11/h2-4H,1H3
InChIKeyPTZKSWQPOVPSSN-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.31
Rot. Bonds2

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal

2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal (PubChem CID 91443834) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal
PubChem CID91443834
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal
SMILESCC(C=O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-4(3-12)11-7(13)6(9)5(8)2-10-11/h2-4H,1H3
InChIKeyPTZKSWQPOVPSSN-UHFFFAOYSA-N
XLogP1.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.31
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-(4,5-dichloro-6-oxopyridazin-1-yl)propanal?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal (CID 91443834) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal is CC(C=O)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal?
The InChIKey is PTZKSWQPOVPSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-4(3-12)11-7(13)6(9)5(8)2-10-11/h2-4H,1H3.
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal?
2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal has a molecular weight of 221.04 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanal is sourced from PubChem (CID 91443834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).