4-Acetyl-2-bromopyridine hydrobromide

CAT: 0127-OR2646Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

918142-93-5

Synonyms

1- (2-Bromopyridin-4-yl) ethan-1-one hydrobromide

MDL Number

MFCD08282777

Smiles

Br.CC (=O) c1ccnc (Br) c1

Chemical Information

1-(2-Bromopyridin-4-yl)ethanone hydrobromide

CAS Number	918142-93-5
PubChem CID	20138268
IUPAC Name	1-(2-bromo-4-pyridinyl)ethanone;hydrobromide
Molecular Formula	C7H7Br2NO
Molecular Weight	280.94
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

CC(=O)C1=CC(=NC=C1)Br.Br

InChI

InChI=1S/C7H6BrNO.BrH/c1-5(10)6-2-3-9-7(8)4-6;/h2-4H,1H3;1H

InChIKey

RWYPZDWIYFUQKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 918142-93-5

CID: 20138268

Formula: C7H7Br2NO

MW: 280.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.94
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	280.88739
Monoisotopic Mass	278.88944
Topological Polar Surface Area	30 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1004648	Methyl 4-bromopyridine-2-carboxylate hydrobromide
OR914337-01	2-Amino-3-hydroxy-4-bromopyridine hydrobromide
OR52784-01	4-Acetyl-3-bromopyridine
OR14930-01	5-Acetyl-2-bromopyridine
OR52783-01	2-Acetyl-3-bromopyridine
OR51752-01	2-Acetyl-5-bromopyridine
OR18830-01	3-Acetyl-2-bromopyridine
OR12051-01	2-Acetyl-6-bromopyridine
OR49036-01	4-Bromopyridazine hydrobromide
OR55159-01	4-Bromopyrimidine hydrobromide

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