2-amino-3-bromo-6-fluoro-4-methylphenol

C7H7BrFNO — CID 84685280

IUPAC2-amino-3-bromo-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(N)c1Br
InChIInChI=1S/C7H7BrFNO/c1-3-2-4(9)7(11)6(10)5(3)8/h2,11H,10H2,1H3
InChIKeyZSQLYKJZDQIFAI-UHFFFAOYSA-N
MW220.04 g/mol
LogP2.18
Rot. Bonds

About 2-amino-3-bromo-6-fluoro-4-methylphenol

2-amino-3-bromo-6-fluoro-4-methylphenol (PubChem CID 84685280) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is 2-amino-3-bromo-6-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-amino-3-bromo-6-fluoro-4-methylphenol
PubChem CID84685280
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name2-amino-3-bromo-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(N)c1Br
InChIInChI=1S/C7H7BrFNO/c1-3-2-4(9)7(11)6(10)5(3)8/h2,11H,10H2,1H3
InChIKeyZSQLYKJZDQIFAI-UHFFFAOYSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-5-methylbenzene-1,2-diol
CID 84683348
2-amino-3-chloro-6-fluoro-4-methylphenol
CID 84655409
2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
CID 84807026
3-bromo-2,4-difluoro-6-methylaniline;hydrochloride
CID 178161006
3-bromo-4-fluoro-2,6-dimethylaniline;ethane
CID 168927832
2,6-dibromo-3,5-dimethylphenol
CID 10660357
3,4-dibromo-5-methylbenzene-1,2-diol
CID 54013220
3,6-difluoro-4-methylbenzene-1,2-diol
CID 20702368
5-amino-2-bromo-3,6-dimethylphenol
CID 84784556
2-amino-3-fluoro-6-methylphenol
CID 131278270
2-bromo-5-fluoro-3-methylphenol
CID 118995128
5-amino-4-fluoro-2-methylphenol
CID 10154098

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-6-fluoro-4-methylphenol?
The IUPAC name of 2-amino-3-bromo-6-fluoro-4-methylphenol (CID 84685280) is 2-amino-3-bromo-6-fluoro-4-methylphenol.
What is the SMILES notation for 2-amino-3-bromo-6-fluoro-4-methylphenol?
The canonical SMILES for 2-amino-3-bromo-6-fluoro-4-methylphenol is Cc1cc(F)c(O)c(N)c1Br.
What is the InChIKey of 2-amino-3-bromo-6-fluoro-4-methylphenol?
The InChIKey is ZSQLYKJZDQIFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c1-3-2-4(9)7(11)6(10)5(3)8/h2,11H,10H2,1H3.
What are the key properties of 2-amino-3-bromo-6-fluoro-4-methylphenol?
2-amino-3-bromo-6-fluoro-4-methylphenol has a molecular weight of 220.04 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-6-fluoro-4-methylphenol is sourced from PubChem (CID 84685280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).