2-Bromo-4-phenylpyridine

CAT: 0024-sc-259618ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-259618ASize:1 g

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CAS Number

54151-74-5

Chemical Information

2-Bromo-4-phenylpyridine

CAS Number	54151-74-5
PubChem CID	104700
IUPAC Name	2-bromo-4-phenylpyridine
Molecular Formula	C11H8BrN
Molecular Weight	234.09
XLogP	3.5
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	154

SMILES

C1=CC=C(C=C1)C2=CC(=NC=C2)Br

InChI

InChI=1S/C11H8BrN/c12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H

InChIKey

KRIILKQTJUOQCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54151-74-5

CID: 104700

Formula: C11H8BrN

MW: 234.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.09
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	232.98401
Monoisotopic Mass	232.98401
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	154
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
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OR1089729-01	4-Bromo-2-chloro-3-phenylpyridine
OR1089487-01	2-Bromo-5-chloro-4-phenylpyridine
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OR1041383-01	2-Bromo-3-phenylpyridine