2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde

C7H6Cl2N2O — CID 155593309

IUPAC2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde
SMILESCc1c(Cl)nnc(Cl)c1CC=O
InChIInChI=1S/C7H6Cl2N2O/c1-4-5(2-3-12)7(9)11-10-6(4)8/h3H,2H2,1H3
InChIKeyJNNWSHYYOBBQRS-UHFFFAOYSA-N
MW205.04 g/mol
LogP1.83
Rot. Bonds2

About 2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde

2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde (PubChem CID 155593309) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde
PubChem CID155593309
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde
SMILESCc1c(Cl)nnc(Cl)c1CC=O
InChIInChI=1S/C7H6Cl2N2O/c1-4-5(2-3-12)7(9)11-10-6(4)8/h3H,2H2,1H3
InChIKeyJNNWSHYYOBBQRS-UHFFFAOYSA-N
XLogP1.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde?
The IUPAC name of 2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde (CID 155593309) is 2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde?
The canonical SMILES for 2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde is Cc1c(Cl)nnc(Cl)c1CC=O.
What is the InChIKey of 2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde?
The InChIKey is JNNWSHYYOBBQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c1-4-5(2-3-12)7(9)11-10-6(4)8/h3H,2H2,1H3.
What are the key properties of 2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde?
2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde has a molecular weight of 205.04 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde is sourced from PubChem (CID 155593309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).