4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine

C7H8BrFN2O — CID 126673825

IUPAC4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine
SMILESCOc1cc(Br)c(F)c(N)c1N
InChIInChI=1S/C7H8BrFN2O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,10-11H2,1H3
InChIKeyIWHWMMUCLYMTFS-UHFFFAOYSA-N
MW235.06 g/mol
LogP1.76
Rot. Bonds1

About 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine

4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine (PubChem CID 126673825) has the molecular formula C7H8BrFN2O and a molecular weight of 235.06 g/mol. Its IUPAC name is 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine
PubChem CID126673825
Molecular FormulaC7H8BrFN2O
Molecular Weight235.06 g/mol
Exact Mass233.98
IUPAC Name4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine
SMILESCOc1cc(Br)c(F)c(N)c1N
InChIInChI=1S/C7H8BrFN2O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,10-11H2,1H3
InChIKeyIWHWMMUCLYMTFS-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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Related Compounds

4-Bromo-5-methoxybenzene-1,2-diamine
CID 13303571
3-Bromo-5-methoxybenzene-1,2-diamine
CID 50879058
3-Bromo-5-methoxyaniline
CID 14998828
4-Bromo-5-fluoro-2-methoxyaniline
CID 22347298
4-Bromo-2-methoxy-6-nitroaniline
CID 50879056
4-Bromo-3-fluoro-2-methoxyaniline
CID 57955529
2-Bromo-4-fluoro-6-methoxybenzenamine
CID 58572744
4-Bromo-3-methoxyphenylene-1,2-diamine
CID 67062475
3-Bromo-2-fluoro-6-methoxyaniline
CID 83409859
4-Bromo-2,5-dimethoxyaniline
CID 16490136
4-Bromo-6-fluoro-3-methoxybenzene-1,2-diamine hydrochloride
CID 165943602
5-Fluoro-3-methoxybenzene-1,2-diamine
CID 45122088

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine?
The IUPAC name of 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine (CID 126673825) is 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine?
The canonical SMILES for 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine is COc1cc(Br)c(F)c(N)c1N.
What is the InChIKey of 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine?
The InChIKey is IWHWMMUCLYMTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,10-11H2,1H3.
What are the key properties of 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine?
4-bromo-3-fluoro-6-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 4-bromo-3-fluoro-6-methoxybenzene-1,2-diamine is sourced from PubChem (CID 126673825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).