6-methyl-3-phenylpyridazine-4-carbaldehyde

C12H10N2O — CID 13464111

IUPAC6-methyl-3-phenylpyridazine-4-carbaldehyde
SMILESCc1cc(C=O)c(-c2ccccc2)nn1
InChIInChI=1S/C12H10N2O/c1-9-7-11(8-15)12(14-13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyIJOJWWIHRURQCZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.26
Rot. Bonds2

About 6-methyl-3-phenylpyridazine-4-carbaldehyde

6-methyl-3-phenylpyridazine-4-carbaldehyde (PubChem CID 13464111) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-methyl-3-phenylpyridazine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-phenylpyridazine-4-carbaldehyde
PubChem CID13464111
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name6-methyl-3-phenylpyridazine-4-carbaldehyde
SMILESCc1cc(C=O)c(-c2ccccc2)nn1
InChIInChI=1S/C12H10N2O/c1-9-7-11(8-15)12(14-13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyIJOJWWIHRURQCZ-UHFFFAOYSA-N
XLogP2.26
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.26
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 6-methyl-3-phenylpyridazine-4-carbaldehyde?
The IUPAC name of 6-methyl-3-phenylpyridazine-4-carbaldehyde (CID 13464111) is 6-methyl-3-phenylpyridazine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-3-phenylpyridazine-4-carbaldehyde?
The canonical SMILES for 6-methyl-3-phenylpyridazine-4-carbaldehyde is Cc1cc(C=O)c(-c2ccccc2)nn1.
What is the InChIKey of 6-methyl-3-phenylpyridazine-4-carbaldehyde?
The InChIKey is IJOJWWIHRURQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9-7-11(8-15)12(14-13-9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 6-methyl-3-phenylpyridazine-4-carbaldehyde?
6-methyl-3-phenylpyridazine-4-carbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenylpyridazine-4-carbaldehyde is sourced from PubChem (CID 13464111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).