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1190313-61-1 | 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 2,3-dihydro-4-iodo-2-oxo-
CAS No: 1190313-61-1 Catalog No: AG000HKY MDL No:
Product Description
Catalog Number:
AG000HKY
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 2,3-dihydro-4-iodo-2-oxo-
CAS Number:
1190313-61-1
Molecular Formula:
C8H4IN3O
Molecular Weight:
285.0413
IUPAC Name:
4-iodo-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C8H4IN3O/c9-6-1-4(3-10)11-8-5(6)2-7(13)12-8/h1H,2H2,(H,11,12,13)
InChI Key:
KSGXRHSLTJMLLB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)c2c(n1)NC(=O)C2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.044g/mol
Monoisotopic Mass:
284.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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