4,6-dibromo-3-phenylpyridazine

C10H6Br2N2 — CID 19375477

IUPAC4,6-dibromo-3-phenylpyridazine
SMILESBrc1cc(Br)c(-c2ccccc2)nn1
InChIInChI=1S/C10H6Br2N2/c11-8-6-9(12)13-14-10(8)7-4-2-1-3-5-7/h1-6H
InChIKeyLINXZJNHOAOKNW-UHFFFAOYSA-N
MW313.98 g/mol
LogP3.67
Rot. Bonds1

About 4,6-dibromo-3-phenylpyridazine

4,6-dibromo-3-phenylpyridazine (PubChem CID 19375477) has the molecular formula C10H6Br2N2 and a molecular weight of 313.98 g/mol. Its IUPAC name is 4,6-dibromo-3-phenylpyridazine.

Molecular Properties

Compound Name4,6-dibromo-3-phenylpyridazine
PubChem CID19375477
Molecular FormulaC10H6Br2N2
Molecular Weight313.98 g/mol
Exact Mass311.89
IUPAC Name4,6-dibromo-3-phenylpyridazine
SMILESBrc1cc(Br)c(-c2ccccc2)nn1
InChIInChI=1S/C10H6Br2N2/c11-8-6-9(12)13-14-10(8)7-4-2-1-3-5-7/h1-6H
InChIKeyLINXZJNHOAOKNW-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.98
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-3-phenylpyridazine?
The IUPAC name of 4,6-dibromo-3-phenylpyridazine (CID 19375477) is 4,6-dibromo-3-phenylpyridazine.
What is the SMILES notation for 4,6-dibromo-3-phenylpyridazine?
The canonical SMILES for 4,6-dibromo-3-phenylpyridazine is Brc1cc(Br)c(-c2ccccc2)nn1.
What is the InChIKey of 4,6-dibromo-3-phenylpyridazine?
The InChIKey is LINXZJNHOAOKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2/c11-8-6-9(12)13-14-10(8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4,6-dibromo-3-phenylpyridazine?
4,6-dibromo-3-phenylpyridazine has a molecular weight of 313.98 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-3-phenylpyridazine is sourced from PubChem (CID 19375477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).