2,6-dibromobenzene-1,4-diamine

C6H6Br2N2 — CID 653341

IUPAC2,6-dibromobenzene-1,4-diamine
SMILESNc1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C6H6Br2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2
InChIKeyNIXNGYGWQMXMCA-UHFFFAOYSA-N
MW265.94 g/mol
LogP2.38
Rot. Bonds

About 2,6-dibromobenzene-1,4-diamine

2,6-dibromobenzene-1,4-diamine (PubChem CID 653341) has the molecular formula C6H6Br2N2 and a molecular weight of 265.94 g/mol. Its IUPAC name is 2,6-dibromobenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dibromobenzene-1,4-diamine
PubChem CID653341
Molecular FormulaC6H6Br2N2
Molecular Weight265.94 g/mol
Exact Mass263.89
IUPAC Name2,6-dibromobenzene-1,4-diamine
SMILESNc1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C6H6Br2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2
InChIKeyNIXNGYGWQMXMCA-UHFFFAOYSA-N
XLogP2.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.94
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromobenzene-1,4-diamine?
The IUPAC name of 2,6-dibromobenzene-1,4-diamine (CID 653341) is 2,6-dibromobenzene-1,4-diamine.
What is the SMILES notation for 2,6-dibromobenzene-1,4-diamine?
The canonical SMILES for 2,6-dibromobenzene-1,4-diamine is Nc1cc(Br)c(N)c(Br)c1.
What is the InChIKey of 2,6-dibromobenzene-1,4-diamine?
The InChIKey is NIXNGYGWQMXMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2.
What are the key properties of 2,6-dibromobenzene-1,4-diamine?
2,6-dibromobenzene-1,4-diamine has a molecular weight of 265.94 g/mol, XLogP of 2.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromobenzene-1,4-diamine is sourced from PubChem (CID 653341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).