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5-(Pyridin-2-ylmethyl)benzofuran-2-ylboronic acid

HCID 58415277
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OB(O)c1cc2cc(Cc3ccccn3)ccc2o1
InChIKey
PNWOWVFKVYJTNM-UHFFFAOYSA-N
Molecular formula
C14H12BNO3
Average molar mass
253.06 g/mol

Names & identifiers

Preferred name
5-(Pyridin-2-ylmethyl)benzofuran-2-ylboronic acid
IUPAC
[5-(pyridin-2-ylmethyl)-1-benzofuran-2-yl]boronic acid

Names & synonyms

SCHEMBL1601137PNWOWVFKVYJTNM-UHFFFAOYSA-N5-(Pyridin-2-ylmethyl)benzofuran-2-ylboronic acid

Database identifiers

PubChem CID
58415277

Properties

Computed structural properties

Topological polar surface area
66.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
302

Related reactions

3 records
New reaction record
HRID 1548515 reaction equation
HRID 1548515As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2075203 reaction equation
HRID 2075203As productuspto-grants-2011_04
HRID 2075204 reaction equation
HRID 2075204As reactantuspto-grants-2011_04

Compound notes

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