Pyridine-4-boronic acid

CAT: 0063-50906381-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0063-50906381-01Size:5 g

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CAS Number

1692-15-5

Chemical Information

(Pyridin-4-yl)boronic acid

CAS Number	1692-15-5
PubChem CID	2734379
IUPAC Name	pyridin-4-ylboronic acid
Molecular Formula	C5H6BNO2
Molecular Weight	122.92
Topological Polar Surface Area	53.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	83

SMILES

B(C1=CC=NC=C1)(O)O

InChI

InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H

InChIKey

QLULGIRFKAWHOJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1692-15-5

CID: 2734379

Formula: C5H6BNO2

MW: 122.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.92
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	123.0491586
Monoisotopic Mass	123.0491586
Topological Polar Surface Area	53.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR0727-01	Pyridine-4-boronic acid
sc-264172	Pyridine-4-boronic acid hydrochloride
OR361571	Pyridine-4-boronic acid hydrate
MBS9025206-01	3-(Trifluoromethyl)pyridine-4-boronic acid
sc-298179	2- (Trifluoromethyl) pyridine-4-boronic acid
OR906804-01	2- (Methoxycarbonyl) pyridine-4-boronic acid
MBS9025189-01	2-(Dimethylamino)pyridine-4-boronic acid
CSB-DT4449	4- (Trifluoromethyl) pyridine- 3-boronic acid
CSB-DT4704	2- (Dimethylamino) pyridine- 4-boronic acid
414057-01	2- (Benzyloxy) pyridine-4-boronic acid