2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde

C13H12N2O — CID 165456747

IUPAC2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde
SMILESCc1cc(-c2cccnn2)c(C)cc1C=O
InChIInChI=1S/C13H12N2O/c1-9-7-12(10(2)6-11(9)8-16)13-4-3-5-14-15-13/h3-8H,1-2H3
InChIKeyAEIMZEWDHQKYJA-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.57
Rot. Bonds2

About 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde

2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde (PubChem CID 165456747) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde
PubChem CID165456747
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde
SMILESCc1cc(-c2cccnn2)c(C)cc1C=O
InChIInChI=1S/C13H12N2O/c1-9-7-12(10(2)6-11(9)8-16)13-4-3-5-14-15-13/h3-8H,1-2H3
InChIKeyAEIMZEWDHQKYJA-UHFFFAOYSA-N
XLogP2.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.57
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 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde?
The IUPAC name of 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde (CID 165456747) is 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde.
What is the SMILES notation for 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde?
The canonical SMILES for 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde is Cc1cc(-c2cccnn2)c(C)cc1C=O.
What is the InChIKey of 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde?
The InChIKey is AEIMZEWDHQKYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-7-12(10(2)6-11(9)8-16)13-4-3-5-14-15-13/h3-8H,1-2H3.
What are the key properties of 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde?
2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde is sourced from PubChem (CID 165456747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).