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5-Bromo-7-azaindole

CAT: 0804-HY-30012Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-30012Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-Bromo-7-azaindole is an important intermediate. 5-Bromo-7-azaindole can be used for the synthesis of other nitrogen-containing heterocyclic compounds[1][2].
CAS Number
183208-35-7
UNSPSC
12352200
Hazard Statement
H302, H318
Target
Biochemical Assay Reagents; Drug Intermediate
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-bromo-7-azaindole.html
Purity
99.96
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
BrC1=CC2=C(NC=C2)N=C1
Molecular Formula
C7H5BrN2
Molecular Weight
197.03
Precautions
H302, H318
References & Citations
[1]Han C, et al. Highly Regioselective and Practical Synthesis of 5-Bromo-4-chloro-3-nitro-7-azaindole. Organic Process Research & Development, 2017, 21 (4) : 664-668.|[2]Morzyk-Ociepa B, et al. Reinvestigation of the crystal structure, vibrational spectroscopic studies and DFT calculations of 5-bromo-7-azaindole with dual N–H⋅⋅⋅ N hydrogen bonds in dimers. Journal of Molecular Structure, 2015, 1101: 91-100.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
Phase 1

Chemical Information

5-bromo-1H-pyrrolo[2,3-b]pyridine
CAS Number183208-35-7
PubChem CID10307932
IUPAC Name5-bromo-1H-pyrrolo[2,3-b]pyridine
Molecular FormulaC7H5BrN2
Molecular Weight197.03
XLogP2
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
C1=CNC2=NC=C(C=C21)Br
InChI
InChI=1S/C7H5BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
InChIKey
LPTVWZSQAIDCEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-bromo-1H-pyrrolo[2,3-b]pyridine
CAS: 183208-35-7
CID: 10307932
Formula: C7H5BrN2
MW: 197.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.03
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass195.96361
Monoisotopic Mass195.96361
Topological Polar Surface Area28.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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