4,5-dibromo-2-methoxyaniline

C7H7Br2NO — CID 911334

IUPAC4,5-dibromo-2-methoxyaniline
SMILESCOc1cc(Br)c(Br)cc1N
InChIInChI=1S/C7H7Br2NO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3
InChIKeyQRSDRPFQDQCMLZ-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.80
Rot. Bonds1

About 4,5-dibromo-2-methoxyaniline

4,5-dibromo-2-methoxyaniline (PubChem CID 911334) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 4,5-dibromo-2-methoxyaniline.

Molecular Properties

Compound Name4,5-dibromo-2-methoxyaniline
PubChem CID911334
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name4,5-dibromo-2-methoxyaniline
SMILESCOc1cc(Br)c(Br)cc1N
InChIInChI=1S/C7H7Br2NO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3
InChIKeyQRSDRPFQDQCMLZ-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.80
H-Bond Donors ≤ 51
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 4,5-dibromo-2-methoxyaniline?
The IUPAC name of 4,5-dibromo-2-methoxyaniline (CID 911334) is 4,5-dibromo-2-methoxyaniline.
What is the SMILES notation for 4,5-dibromo-2-methoxyaniline?
The canonical SMILES for 4,5-dibromo-2-methoxyaniline is COc1cc(Br)c(Br)cc1N.
What is the InChIKey of 4,5-dibromo-2-methoxyaniline?
The InChIKey is QRSDRPFQDQCMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3.
What are the key properties of 4,5-dibromo-2-methoxyaniline?
4,5-dibromo-2-methoxyaniline has a molecular weight of 280.95 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-methoxyaniline is sourced from PubChem (CID 911334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).