4-bromo-5-methoxybenzene-1,2-diamine

C7H9BrN2O — CID 13303571

IUPAC4-bromo-5-methoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(N)cc1Br
InChIInChI=1S/C7H9BrN2O/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,9-10H2,1H3
InChIKeyIJFZSEBJGGZXPN-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.62
Rot. Bonds1

About 4-bromo-5-methoxybenzene-1,2-diamine

4-bromo-5-methoxybenzene-1,2-diamine (PubChem CID 13303571) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 4-bromo-5-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-methoxybenzene-1,2-diamine
PubChem CID13303571
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name4-bromo-5-methoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(N)cc1Br
InChIInChI=1S/C7H9BrN2O/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,9-10H2,1H3
InChIKeyIJFZSEBJGGZXPN-UHFFFAOYSA-N
XLogP1.62
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxybenzene-1,2-diamine?
The IUPAC name of 4-bromo-5-methoxybenzene-1,2-diamine (CID 13303571) is 4-bromo-5-methoxybenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-methoxybenzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-methoxybenzene-1,2-diamine is COc1cc(N)c(N)cc1Br.
What is the InChIKey of 4-bromo-5-methoxybenzene-1,2-diamine?
The InChIKey is IJFZSEBJGGZXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,9-10H2,1H3.
What are the key properties of 4-bromo-5-methoxybenzene-1,2-diamine?
4-bromo-5-methoxybenzene-1,2-diamine has a molecular weight of 217.07 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxybenzene-1,2-diamine is sourced from PubChem (CID 13303571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).