2-(6-Bromo-5-methoxypyridin-2-yl)propan-2-ol

HCID 57556073

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C(C)(C)O)nc1Br
InChIKey: KHQYNSJWGXSUIK-UHFFFAOYSA-N
Molecular formula: C9H12BrNO2
Average molar mass: 246.1 g/mol

Names & identifiers

Preferred name: 2-(6-Bromo-5-methoxypyridin-2-yl)propan-2-ol
IUPAC: 2-(6-bromo-5-methoxy-2-pyridinyl)propan-2-ol

Names & synonyms

945770-74-12-(6-bromo-5-methoxypyridin-2-yl)propan-2-olSCHEMBL131985SCHEMBL30828981KHQYNSJWGXSUIK-UHFFFAOYSA-NMFCD27934265SY506573DB-3758502-(6-bromo-5-methoxy-pyridin-2-yl)-propan-2-ol

Database identifiers

PubChem CID: 57556073

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 175

Related reactions

3 records

New reaction record

HRID 138013As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 604225As productuspto-grants-2011_03

HRID 658086As productuspto-grants-2011_12

Compound notes

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