5-bromo-3,3'-bipyridine

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CAS Number

15862-22-3

MDL Number

MFCD09037813

Smiles

C1 (cncc (c1) Br) c1cnccc1

Chemical Information

5-Bromo-3,3'-bipyridine

CAS Number	15862-22-3
PubChem CID	13546458
IUPAC Name	3-bromo-5-pyridin-3-ylpyridine
Molecular Formula	C10H7BrN2
Molecular Weight	235.08
XLogP	2.1
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	163

SMILES

C1=CC(=CN=C1)C2=CC(=CN=C2)Br

InChI

InChI=1S/C10H7BrN2/c11-10-4-9(6-13-7-10)8-2-1-3-12-5-8/h1-7H

InChIKey

NNNYHNUZYYNHCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15862-22-3

CID: 13546458

Formula: C10H7BrN2

MW: 235.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.08
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	233.97926
Monoisotopic Mass	233.97926
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	163
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
sc-278098	5-Bromo-2,3'-bipyridine
sc-299749A	5-Bromo-2'-chloro-3,3'-bipyridine
sc-299748	5-Bromo-2'-chloro-2,3'-bipyridine
sc-299750A	5-Bromo-2'-chloro-3,4'-bipyridine
437129-01	5,5'-Difluoro-3,3'-bipyridine
437128-01	5,5'-Dicyano-3,3'-bipyridine
sc-299964A	6-Bromo-6'-chloro-3,3'-bipyridine
sc-299956A	6-Bromo-2'-chloro-3,3'-bipyridine
447156-01	Dimethyl 3,3'-bipyridine-5,5'-dicarboxylate
HY-W124377-01	3,3'-Bipyridine