6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde

C12H9FN2O — CID 82284842

IUPAC6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde
SMILESCc1cc(-c2ccc(C=O)nn2)ccc1F
InChIInChI=1S/C12H9FN2O/c1-8-6-9(2-4-11(8)13)12-5-3-10(7-16)14-15-12/h2-7H,1H3
InChIKeyMNAYYPUFXJHVDY-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.40
Rot. Bonds2

About 6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde

6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde (PubChem CID 82284842) has the molecular formula C12H9FN2O and a molecular weight of 216.21 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde
PubChem CID82284842
Molecular FormulaC12H9FN2O
Molecular Weight216.21 g/mol
Exact Mass216.07
IUPAC Name6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde
SMILESCc1cc(-c2ccc(C=O)nn2)ccc1F
InChIInChI=1S/C12H9FN2O/c1-8-6-9(2-4-11(8)13)12-5-3-10(7-16)14-15-12/h2-7H,1H3
InChIKeyMNAYYPUFXJHVDY-UHFFFAOYSA-N
XLogP2.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.40
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-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde (CID 82284842) is 6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde is Cc1cc(-c2ccc(C=O)nn2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde?
The InChIKey is MNAYYPUFXJHVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-8-6-9(2-4-11(8)13)12-5-3-10(7-16)14-15-12/h2-7H,1H3.
What are the key properties of 6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde?
6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde has a molecular weight of 216.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 82284842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).