6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde

C13H12N2O3 — CID 82294072

IUPAC6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)nn2)cc1OC
InChIInChI=1S/C13H12N2O3/c1-17-12-6-3-9(7-13(12)18-2)11-5-4-10(8-16)14-15-11/h3-8H,1-2H3
InChIKeyPDFZAHSIHKXTIJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.97
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde

6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde (PubChem CID 82294072) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde
PubChem CID82294072
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)nn2)cc1OC
InChIInChI=1S/C13H12N2O3/c1-17-12-6-3-9(7-13(12)18-2)11-5-4-10(8-16)14-15-11/h3-8H,1-2H3
InChIKeyPDFZAHSIHKXTIJ-UHFFFAOYSA-N
XLogP1.97
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
CID 82299639
6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
3-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761406
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
6-methoxypyridazine-3-carbaldehyde
CID 13227306
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide
CID 43817505
6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde
CID 116857718
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
3-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butanal
CID 22727348
4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
CID 157022258
[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate
CID 6418724
2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidine-4-carbaldehyde
CID 107923046

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde (CID 82294072) is 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde is COc1ccc(-c2ccc(C=O)nn2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde?
The InChIKey is PDFZAHSIHKXTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-12-6-3-9(7-13(12)18-2)11-5-4-10(8-16)14-15-11/h3-8H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde?
6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde has a molecular weight of 244.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 82294072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).