5-Bromo-3-Pyridinecarboxaldehyde

CAT: 1489-B2730-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-B2730-01Size:1 g

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CAS Number

113118-81-3

Purity

0.98

Chemical Information

5-Bromo-3-pyridinecarboxaldehyde

CAS Number	113118-81-3
PubChem CID	2784734
IUPAC Name	5-bromopyridine-3-carbaldehyde
Molecular Formula	C6H4BrNO
Molecular Weight	186.01
XLogP	1
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	107

SMILES

C1=C(C=NC=C1Br)C=O

InChI

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

InChIKey

NGUVGKAEOFPLDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 113118-81-3

CID: 2784734

Formula: C6H4BrNO

MW: 186.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.01
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	184.94763
Monoisotopic Mass	184.94763
Topological Polar Surface Area	30 Å²
Heavy Atom Count	9
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	1
Compound Is Canonicalized	Yes

Catalog	Name
B2550-01	2-Bromo-3-pyridinecarboxaldehyde
P0120-01	3-Pyridinecarboxaldehyde
C2500-01	2-Chloro-3-Pyridinecarboxaldehyde
P7200	2-Pyridinecarboxaldehyde
P7210-01	4-Pyridinecarboxaldehyde
B2660-01	3-Bromo-5-Fluoropyridine
B6830-01	1-Bromo-3,5-dimethyladamantane
M9200-01	1-Bromo-3,5-dimethyladamantane
B3310-01	5-Bromo-3-indolyl decanoate
B7860	5-Bromo-5-Nitro-1,3-Dioxane

Catalog	Name
abx183699-01	5-Bromo-3-pyridinecarboxaldehyde
sc-254785	5-Bromo-2-pyridinecarboxaldehyde
OR1081352	2-Bromo-5-methyl-3-pyridinecarboxaldehyde
161826	5-Bromo-2-fluoro-3-pyridinecarboxaldehyde
424357-01	3-Bromo-4-pyridinecarboxaldehyde
sc-254164	2-Bromo-3-pyridinecarboxaldehyde
OR1081356	2-Bromo-3,5-dichloro-4-pyridinecarboxaldehyde
OR1095717	3-Bromo-4-pyridinecarboxaldehyde hydrochloroide
TRC-B283330-100MG	4-Bromo-5-methoxy-2-pyridinecarboxaldehyde
OR86605-01	2-Bromo-5-hydroxy-4-pyridinecarboxaldehyde