5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine

C7H8BrFN2O — CID 59286247

IUPAC5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine
SMILESCOc1c(Br)cc(N)c(N)c1F
InChIInChI=1S/C7H8BrFN2O/c1-12-7-3(8)2-4(10)6(11)5(7)9/h2H,10-11H2,1H3
InChIKeyGPLBEUZLNFISSW-UHFFFAOYSA-N
MW235.06 g/mol
LogP1.76
Rot. Bonds1

About 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine

5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine (PubChem CID 59286247) has the molecular formula C7H8BrFN2O and a molecular weight of 235.06 g/mol. Its IUPAC name is 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine
PubChem CID59286247
Molecular FormulaC7H8BrFN2O
Molecular Weight235.06 g/mol
Exact Mass233.98
IUPAC Name5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine
SMILESCOc1c(Br)cc(N)c(N)c1F
InChIInChI=1S/C7H8BrFN2O/c1-12-7-3(8)2-4(10)6(11)5(7)9/h2H,10-11H2,1H3
InChIKeyGPLBEUZLNFISSW-UHFFFAOYSA-N
XLogP1.76
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 51.76
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 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine?
The IUPAC name of 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine (CID 59286247) is 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine.
What is the SMILES notation for 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine?
The canonical SMILES for 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine is COc1c(Br)cc(N)c(N)c1F.
What is the InChIKey of 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine?
The InChIKey is GPLBEUZLNFISSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2O/c1-12-7-3(8)2-4(10)6(11)5(7)9/h2H,10-11H2,1H3.
What are the key properties of 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine?
5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine has a molecular weight of 235.06 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-4-methoxybenzene-1,2-diamine is sourced from PubChem (CID 59286247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).