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1190310-69-0

1190310-69-0 | 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 4-iodo-

CAS No: 1190310-69-0 Catalog No: AG000HH2 MDL No:MFCD12962689

Product Description

Catalog Number:
AG000HH2
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 4-iodo-
CAS Number:
1190310-69-0
Molecular Formula:
C8H4IN3
Molecular Weight:
269.0419
MDL Number:
MFCD12962689
IUPAC Name:
4-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C8H4IN3/c9-7-3-5(4-10)12-8-6(7)1-2-11-8/h1-3H,(H,11,12)
InChI Key:
XJPUOSRBTJCEQA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)c2c(n1)[nH]cc2

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:
2  

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