1,4-dibromophthalazine

C8H4Br2N2 — CID 59627392

IUPAC1,4-dibromophthalazine
SMILESBrc1nnc(Br)c2ccccc12
InChIInChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H
InChIKeyCNGXORPRECUFGX-UHFFFAOYSA-N
MW287.94 g/mol
LogP3.15
Rot. Bonds

About 1,4-dibromophthalazine

1,4-dibromophthalazine (PubChem CID 59627392) has the molecular formula C8H4Br2N2 and a molecular weight of 287.94 g/mol. Its IUPAC name is 1,4-dibromophthalazine.

Molecular Properties

Compound Name1,4-dibromophthalazine
PubChem CID59627392
Molecular FormulaC8H4Br2N2
Molecular Weight287.94 g/mol
Exact Mass285.87
IUPAC Name1,4-dibromophthalazine
SMILESBrc1nnc(Br)c2ccccc12
InChIInChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H
InChIKeyCNGXORPRECUFGX-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.94
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibromophthalazine?
The IUPAC name of 1,4-dibromophthalazine (CID 59627392) is 1,4-dibromophthalazine.
What is the SMILES notation for 1,4-dibromophthalazine?
The canonical SMILES for 1,4-dibromophthalazine is Brc1nnc(Br)c2ccccc12.
What is the InChIKey of 1,4-dibromophthalazine?
The InChIKey is CNGXORPRECUFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H.
What are the key properties of 1,4-dibromophthalazine?
1,4-dibromophthalazine has a molecular weight of 287.94 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromophthalazine is sourced from PubChem (CID 59627392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).