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

C12H9FN2O2 — CID 82289466

IUPAC6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)nn2)cc1F
InChIInChI=1S/C12H9FN2O2/c1-17-12-5-2-8(6-10(12)13)11-4-3-9(7-16)14-15-11/h2-7H,1H3
InChIKeyOATGAZCZDJMXSA-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.10
Rot. Bonds3

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

6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde (PubChem CID 82289466) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde
PubChem CID82289466
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)nn2)cc1F
InChIInChI=1S/C12H9FN2O2/c1-17-12-5-2-8(6-10(12)13)11-4-3-9(7-16)14-15-11/h2-7H,1H3
InChIKeyOATGAZCZDJMXSA-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde (CID 82289466) is 6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde is COc1ccc(-c2ccc(C=O)nn2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde?
The InChIKey is OATGAZCZDJMXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-17-12-5-2-8(6-10(12)13)11-4-3-9(7-16)14-15-11/h2-7H,1H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde?
6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde has a molecular weight of 232.21 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 82289466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).