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

C7H7BrFNO2 — CID 84797950

IUPAC6-amino-4-bromo-2-fluoro-3-methoxyphenol
SMILESCOc1c(Br)cc(N)c(O)c1F
InChIInChI=1S/C7H7BrFNO2/c1-12-7-3(8)2-4(10)6(11)5(7)9/h2,11H,10H2,1H3
InChIKeyIIRGSMGTWXBGKB-UHFFFAOYSA-N
MW236.04 g/mol
LogP1.88
Rot. Bonds1

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

6-amino-4-bromo-2-fluoro-3-methoxyphenol (PubChem CID 84797950) has the molecular formula C7H7BrFNO2 and a molecular weight of 236.04 g/mol. Its IUPAC name is 6-amino-4-bromo-2-fluoro-3-methoxyphenol.

Molecular Properties

Compound Name6-amino-4-bromo-2-fluoro-3-methoxyphenol
PubChem CID84797950
Molecular FormulaC7H7BrFNO2
Molecular Weight236.04 g/mol
Exact Mass234.96
IUPAC Name6-amino-4-bromo-2-fluoro-3-methoxyphenol
SMILESCOc1c(Br)cc(N)c(O)c1F
InChIInChI=1S/C7H7BrFNO2/c1-12-7-3(8)2-4(10)6(11)5(7)9/h2,11H,10H2,1H3
InChIKeyIIRGSMGTWXBGKB-UHFFFAOYSA-N
XLogP1.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.04
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-fluoro-3-iodo-4-methoxyaniline
CID 118609335
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
4-amino-2,6-difluoro-3-methoxyphenol
CID 84766766
4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
CID 84807288
4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
6-amino-4-bromo-2-chloro-3-fluorophenol
CID 170170778
4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117378201
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614
methyl 5-amino-2-bromo-3-fluoro-4-hydroxybenzoate
CID 156537670
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-bromo-2-fluoro-3-methoxyphenol?
The IUPAC name of 6-amino-4-bromo-2-fluoro-3-methoxyphenol (CID 84797950) is 6-amino-4-bromo-2-fluoro-3-methoxyphenol.
What is the SMILES notation for 6-amino-4-bromo-2-fluoro-3-methoxyphenol?
The canonical SMILES for 6-amino-4-bromo-2-fluoro-3-methoxyphenol is COc1c(Br)cc(N)c(O)c1F.
What is the InChIKey of 6-amino-4-bromo-2-fluoro-3-methoxyphenol?
The InChIKey is IIRGSMGTWXBGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2/c1-12-7-3(8)2-4(10)6(11)5(7)9/h2,11H,10H2,1H3.
What are the key properties of 6-amino-4-bromo-2-fluoro-3-methoxyphenol?
6-amino-4-bromo-2-fluoro-3-methoxyphenol has a molecular weight of 236.04 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-bromo-2-fluoro-3-methoxyphenol is sourced from PubChem (CID 84797950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).