2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde

C7H8N2O3 — CID 105061906

IUPAC2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde
SMILESCOc1ccc(=O)n(CC=O)n1
InChIInChI=1S/C7H8N2O3/c1-12-6-2-3-7(11)9(8-6)4-5-10/h2-3,5H,4H2,1H3
InChIKeyUYDDTGDAKWTGEH-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.55
Rot. Bonds3

About 2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde

2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde (PubChem CID 105061906) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde
PubChem CID105061906
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde
SMILESCOc1ccc(=O)n(CC=O)n1
InChIInChI=1S/C7H8N2O3/c1-12-6-2-3-7(11)9(8-6)4-5-10/h2-3,5H,4H2,1H3
InChIKeyUYDDTGDAKWTGEH-UHFFFAOYSA-N
XLogP-0.55
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
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-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde?
The IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde (CID 105061906) is 2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde is COc1ccc(=O)n(CC=O)n1.
What is the InChIKey of 2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde?
The InChIKey is UYDDTGDAKWTGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-6-2-3-7(11)9(8-6)4-5-10/h2-3,5H,4H2,1H3.
What are the key properties of 2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde?
2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde has a molecular weight of 168.15 g/mol, XLogP of -0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-oxopyridazin-1-yl)acetaldehyde is sourced from PubChem (CID 105061906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).