3-bromo-6-(bromomethyl)benzene-1,2-diamine

C7H8Br2N2 — CID 163970562

IUPAC3-bromo-6-(bromomethyl)benzene-1,2-diamine
SMILESNc1c(Br)ccc(CBr)c1N
InChIInChI=1S/C7H8Br2N2/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3,10-11H2
InChIKeySPQAYEIQGJPUAL-UHFFFAOYSA-N
MW279.96 g/mol
LogP2.51
Rot. Bonds1

About 3-bromo-6-(bromomethyl)benzene-1,2-diamine

3-bromo-6-(bromomethyl)benzene-1,2-diamine (PubChem CID 163970562) has the molecular formula C7H8Br2N2 and a molecular weight of 279.96 g/mol. Its IUPAC name is 3-bromo-6-(bromomethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-bromo-6-(bromomethyl)benzene-1,2-diamine
PubChem CID163970562
Molecular FormulaC7H8Br2N2
Molecular Weight279.96 g/mol
Exact Mass277.91
IUPAC Name3-bromo-6-(bromomethyl)benzene-1,2-diamine
SMILESNc1c(Br)ccc(CBr)c1N
InChIInChI=1S/C7H8Br2N2/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3,10-11H2
InChIKeySPQAYEIQGJPUAL-UHFFFAOYSA-N
XLogP2.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dibromobenzene-1,2-diamine
CID 159857959
3-bromo-6-(bromomethyl)-2-(trifluoromethyl)aniline
CID 119024913
2,3,4-tribromo-6-(bromomethyl)aniline
CID 175165901
1,4,5,8-tetrakis(bromomethyl)biphenylene
CID 13401426
3-(aminomethyl)-6-bromo-2-(trifluoromethyl)aniline
CID 130775202
6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline
CID 131115755
3-bromo-6-(bromomethyl)-2-fluorophenol
CID 130820580
2-(3-amino-4-bromo-2-chlorophenyl)acetonitrile
CID 131321805
2-(3-amino-4-bromo-2-fluorophenyl)acetonitrile
CID 131368314
1,4-dibromo-2,5-bis(bromomethyl)benzene
CID 640222
(2-amino-4-bromo-3-fluorophenyl)methanol
CID 150043826
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(bromomethyl)benzene-1,2-diamine?
The IUPAC name of 3-bromo-6-(bromomethyl)benzene-1,2-diamine (CID 163970562) is 3-bromo-6-(bromomethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-bromo-6-(bromomethyl)benzene-1,2-diamine?
The canonical SMILES for 3-bromo-6-(bromomethyl)benzene-1,2-diamine is Nc1c(Br)ccc(CBr)c1N.
What is the InChIKey of 3-bromo-6-(bromomethyl)benzene-1,2-diamine?
The InChIKey is SPQAYEIQGJPUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3,10-11H2.
What are the key properties of 3-bromo-6-(bromomethyl)benzene-1,2-diamine?
3-bromo-6-(bromomethyl)benzene-1,2-diamine has a molecular weight of 279.96 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(bromomethyl)benzene-1,2-diamine is sourced from PubChem (CID 163970562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).