4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde

C7H5F3N2O — CID 130336823

IUPAC4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde
SMILESCc1cc(C(F)(F)F)nnc1C=O
InChIInChI=1S/C7H5F3N2O/c1-4-2-6(7(8,9)10)12-11-5(4)3-13/h2-3H,1H3
InChIKeyGVVBDHSVTNWURM-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.62
Rot. Bonds1

About 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde

4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde (PubChem CID 130336823) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde
PubChem CID130336823
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde
SMILESCc1cc(C(F)(F)F)nnc1C=O
InChIInChI=1S/C7H5F3N2O/c1-4-2-6(7(8,9)10)12-11-5(4)3-13/h2-3H,1H3
InChIKeyGVVBDHSVTNWURM-UHFFFAOYSA-N
XLogP1.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde?
The IUPAC name of 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde (CID 130336823) is 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde is Cc1cc(C(F)(F)F)nnc1C=O.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde?
The InChIKey is GVVBDHSVTNWURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c1-4-2-6(7(8,9)10)12-11-5(4)3-13/h2-3H,1H3.
What are the key properties of 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde?
4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde has a molecular weight of 190.12 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 130336823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).