5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine

C17H13FN2O — CID 10401417

IUPAC5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine
SMILESCOc1cc(-c2cnnc(-c3ccccc3)c2)ccc1F
InChIInChI=1S/C17H13FN2O/c1-21-17-10-13(7-8-15(17)18)14-9-16(20-19-11-14)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyNAQMDFMSYZEUEQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.96
Rot. Bonds3

About 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine

5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine (PubChem CID 10401417) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine
PubChem CID10401417
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine
SMILESCOc1cc(-c2cnnc(-c3ccccc3)c2)ccc1F
InChIInChI=1S/C17H13FN2O/c1-21-17-10-13(7-8-15(17)18)14-9-16(20-19-11-14)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyNAQMDFMSYZEUEQ-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine (CID 10401417) is 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine is COc1cc(-c2cnnc(-c3ccccc3)c2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine?
The InChIKey is NAQMDFMSYZEUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-21-17-10-13(7-8-15(17)18)14-9-16(20-19-11-14)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine?
5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine has a molecular weight of 280.30 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-3-phenylpyridazine is sourced from PubChem (CID 10401417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).