6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine

C24H19FN2O2 — CID 71275863

IUPAC6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESFc1cccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1
InChIInChI=1S/C24H19FN2O2/c25-21-13-7-12-20(14-21)22-15-23(28-16-18-8-3-1-4-9-18)24(27-26-22)29-17-19-10-5-2-6-11-19/h1-15H,16-17H2
InChIKeyMTABTVYJYHZOOF-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.44
Rot. Bonds7

About 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine

6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 71275863) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
PubChem CID71275863
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESFc1cccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1
InChIInChI=1S/C24H19FN2O2/c25-21-13-7-12-20(14-21)22-15-23(28-16-18-8-3-1-4-9-18)24(27-26-22)29-17-19-10-5-2-6-11-19/h1-15H,16-17H2
InChIKeyMTABTVYJYHZOOF-UHFFFAOYSA-N
XLogP5.44
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine (CID 71275863) is 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine is Fc1cccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1.
What is the InChIKey of 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is MTABTVYJYHZOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-21-13-7-12-20(14-21)22-15-23(28-16-18-8-3-1-4-9-18)24(27-26-22)29-17-19-10-5-2-6-11-19/h1-15H,16-17H2.
What are the key properties of 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 386.43 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 71275863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).