4-Bromonicotinaldehyde hydrobromide

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CAS Number

1150271-34-3

Synonyms

4-Bromopyridine-3-carboxaldehyde hydrobromide, 4-Bromo-3-formylpyridine hydrobromide

MDL Number

MFCD09878537

Purity

=95%

Smiles

Br.Brc1ccncc1C=O

Storage Conditions

Store at 2-8°C

Chemical Information

4-Bromonicotinaldehyde hydrobromide

CAS Number	1150271-34-3
PubChem CID	46739282
IUPAC Name	4-bromopyridine-3-carbaldehyde;hydrobromide
Molecular Formula	C6H5Br2NO
Molecular Weight	266.92
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	107

SMILES

C1=CN=CC(=C1Br)C=O.Br

InChI

InChI=1S/C6H4BrNO.BrH/c7-6-1-2-8-3-5(6)4-9;/h1-4H;1H

InChIKey

LRQCVMOGZSGCMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1150271-34-3

CID: 46739282

Formula: C6H5Br2NO

MW: 266.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.92
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	266.87174
Monoisotopic Mass	264.87379
Topological Polar Surface Area	30 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	107
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
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OR6170-01	2-Bromonicotinaldehyde
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OR3672-01	2-Amino-5-bromonicotinaldehyde
OR83636-01	6-Amino-5-bromonicotinaldehyde
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OR49036-01	4-Bromopyridazine hydrobromide
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