4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine

C12H9BrN2 — CID 6327983

IUPAC4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine
SMILESBrc1ccc(/C=C/c2ccnnc2)cc1
InChIInChI=1S/C12H9BrN2/c13-12-5-3-10(4-6-12)1-2-11-7-8-14-15-9-11/h1-9H/b2-1+
InChIKeyDQDGZVVCXFHWQW-OWOJBTEDSA-N
MW261.12 g/mol
LogP3.41
Rot. Bonds2

About 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine

4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine (PubChem CID 6327983) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine.

Molecular Properties

Compound Name4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine
PubChem CID6327983
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine
SMILESBrc1ccc(/C=C/c2ccnnc2)cc1
InChIInChI=1S/C12H9BrN2/c13-12-5-3-10(4-6-12)1-2-11-7-8-14-15-9-11/h1-9H/b2-1+
InChIKeyDQDGZVVCXFHWQW-OWOJBTEDSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine?
The IUPAC name of 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine (CID 6327983) is 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine.
What is the SMILES notation for 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine?
The canonical SMILES for 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine is Brc1ccc(/C=C/c2ccnnc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine?
The InChIKey is DQDGZVVCXFHWQW-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H9BrN2/c13-12-5-3-10(4-6-12)1-2-11-7-8-14-15-9-11/h1-9H/b2-1+.
What are the key properties of 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine?
4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine has a molecular weight of 261.12 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine is sourced from PubChem (CID 6327983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).