Home Nitriles 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

CAS No.:
799270-07-8
Catalog Number:
AG005F6G
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
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Product Description
Catalog Number:
AG005F6G
Chemical Name:
5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CAS Number:
799270-07-8
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD11046239
IUPAC Name:
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-6-1-7-5(2-10)3-11-8(7)12-4-6/h1,3-4H,(H,11,12)
InChI Key:
WDUMYOXRHLWOIR-UHFFFAOYSA-N
SMILES:
Brc1cc2c(c[nH]c2nc1)C#N
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.959g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.045g/mol
Monoisotopic Mass:
220.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties