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5-(Bromomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

HCID 415583
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
51205-90-4
Standard SMILES
Cc1ncc(CBr)c(CO)c1O
InChIKey
NNPYXLKBSNYATK-UHFFFAOYSA-N
Molecular formula
C8H10BrNO2
Average molar mass
232.07 g/mol
Monoisotopic mass
230.98949

Names & identifiers

Preferred name
5-(Bromomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
IUPAC
5-(bromomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

Names & synonyms

5-(bromomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol51205-90-44-Pyridinemethanol, 5-(bromomethyl)-3-hydroxy-2-methyl-SCHEMBL13293531DTXSID50328948

Database identifiers

CAS
51205-90-4
PubChem CID
415583
DTXSID
DTXSID50328948
Nikkaji
J31.380G

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
53.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
145

Related reactions

1 records
New reaction record
HRID 162835 reaction equation
HRID 162835As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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