2-Bromo-5-ethynylpyridine

CAT: 0127-OR76524-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR76524-01Size:100 mg

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CAS Number

569672-28-2

MDL Number

MFCD13189724

Purity

98%

Smiles

C#CC1=CN=C(C=C1)Br

Chemical Information

2-Bromo-5-ethynylpyridine

CAS Number	569672-28-2
PubChem CID	12983079
IUPAC Name	2-bromo-5-ethynylpyridine
Molecular Formula	C7H4BrN
Molecular Weight	182.02
XLogP	2.1
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	135

SMILES

C#CC1=CN=C(C=C1)Br

InChI

InChI=1S/C7H4BrN/c1-2-6-3-4-7(8)9-5-6/h1,3-5H

InChIKey

WRORYOXBXUUDJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 569672-28-2

CID: 12983079

Formula: C7H4BrN

MW: 182.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.02
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	180.95271
Monoisotopic Mass	180.95271
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	135
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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OR53006-01	3-Bromo-5-ethynylpyridine
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OR400459-01	2-Bromo-3-ethynylpyridine
OR19508-01	3-Bromo-2-ethynylpyridine
OR75440-01	2-Bromo-6-ethynylpyridine
OR928998-01	4-Bromo-2-ethynylpyridine
OR53008	5-Ethynylpyridine-2-carbonitrile
OR20052	5-Acetyl-2-ethynylpyridine
PC100650-01	5- (Difluoromethyl) -2-ethynylpyridine