2-amino-5-bromo-3-methoxyphenol

C7H8BrNO2 — CID 131595418

IUPAC2-amino-5-bromo-3-methoxyphenol
SMILESCOc1cc(Br)cc(O)c1N
InChIInChI=1S/C7H8BrNO2/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3,10H,9H2,1H3
InChIKeyMQBCYACIQQKYAY-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.75
Rot. Bonds1

About 2-amino-5-bromo-3-methoxyphenol

2-amino-5-bromo-3-methoxyphenol (PubChem CID 131595418) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 2-amino-5-bromo-3-methoxyphenol.

Molecular Properties

Compound Name2-amino-5-bromo-3-methoxyphenol
PubChem CID131595418
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name2-amino-5-bromo-3-methoxyphenol
SMILESCOc1cc(Br)cc(O)c1N
InChIInChI=1S/C7H8BrNO2/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3,10H,9H2,1H3
InChIKeyMQBCYACIQQKYAY-UHFFFAOYSA-N
XLogP1.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.75
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

1-(2-amino-5-bromo-3-methoxyphenyl)ethanone
CID 118922526
5-bromo-3-methoxy-2-propan-2-ylphenol
CID 84704901
2-amino-5-bromo-3-methoxybenzonitrile
CID 10846901
2-amino-5-bromo-3-methoxybenzaldehyde
CID 15380445
5-bromo-3-methoxy-2-methylaniline
CID 27274725
5-bromo-2-cyclobutyloxy-3-methoxyphenol
CID 84713521
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
(4-bromo-2,6-dimethoxyphenyl)methanamine
CID 130139852
2-bromo-6-methoxybenzene-1,4-diamine
CID 10889334
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
4-bromo-2-methoxybenzenesulfonamide
CID 21129172

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3-methoxyphenol?
The IUPAC name of 2-amino-5-bromo-3-methoxyphenol (CID 131595418) is 2-amino-5-bromo-3-methoxyphenol.
What is the SMILES notation for 2-amino-5-bromo-3-methoxyphenol?
The canonical SMILES for 2-amino-5-bromo-3-methoxyphenol is COc1cc(Br)cc(O)c1N.
What is the InChIKey of 2-amino-5-bromo-3-methoxyphenol?
The InChIKey is MQBCYACIQQKYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3,10H,9H2,1H3.
What are the key properties of 2-amino-5-bromo-3-methoxyphenol?
2-amino-5-bromo-3-methoxyphenol has a molecular weight of 218.05 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3-methoxyphenol is sourced from PubChem (CID 131595418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).