Home Nitriles 3-Iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

3-Iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

CAS No.:
956485-59-9
Catalog Number:
AG005ZDE
Molecular Formula:
C8H4IN3
Molecular Weight:
269.0419
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Product Description
Catalog Number:
AG005ZDE
Chemical Name:
3-Iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CAS Number:
956485-59-9
Molecular Formula:
C8H4IN3
Molecular Weight:
269.0419
IUPAC Name:
3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C8H4IN3/c9-6-4-12-8-7(6)5(3-10)1-2-11-8/h1-2,4H,(H,11,12)
InChI Key:
ISSYSBAEUNYLCG-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc2c1c(I)c[nH]2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.945g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.045g/mol
Monoisotopic Mass:
268.945g/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