5-(3-bromophenyl)-3-phenylmethoxypyridazine

C17H13BrN2O — CID 11566319

IUPAC5-(3-bromophenyl)-3-phenylmethoxypyridazine
SMILESBrc1cccc(-c2cnnc(OCc3ccccc3)c2)c1
InChIInChI=1S/C17H13BrN2O/c18-16-8-4-7-14(9-16)15-10-17(20-19-11-15)21-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeySVOFTAUVVZYYNS-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.49
Rot. Bonds4

About 5-(3-bromophenyl)-3-phenylmethoxypyridazine

5-(3-bromophenyl)-3-phenylmethoxypyridazine (PubChem CID 11566319) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-phenylmethoxypyridazine.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-phenylmethoxypyridazine
PubChem CID11566319
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name5-(3-bromophenyl)-3-phenylmethoxypyridazine
SMILESBrc1cccc(-c2cnnc(OCc3ccccc3)c2)c1
InChIInChI=1S/C17H13BrN2O/c18-16-8-4-7-14(9-16)15-10-17(20-19-11-15)21-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeySVOFTAUVVZYYNS-UHFFFAOYSA-N
XLogP4.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-phenylmethoxypyridazine?
The IUPAC name of 5-(3-bromophenyl)-3-phenylmethoxypyridazine (CID 11566319) is 5-(3-bromophenyl)-3-phenylmethoxypyridazine.
What is the SMILES notation for 5-(3-bromophenyl)-3-phenylmethoxypyridazine?
The canonical SMILES for 5-(3-bromophenyl)-3-phenylmethoxypyridazine is Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1.
What is the InChIKey of 5-(3-bromophenyl)-3-phenylmethoxypyridazine?
The InChIKey is SVOFTAUVVZYYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-16-8-4-7-14(9-16)15-10-17(20-19-11-15)21-12-13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 5-(3-bromophenyl)-3-phenylmethoxypyridazine?
5-(3-bromophenyl)-3-phenylmethoxypyridazine has a molecular weight of 341.21 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-phenylmethoxypyridazine is sourced from PubChem (CID 11566319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).