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Home > Pyridines > 1167056-72-5
1167056-72-5 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 6,7-dihydro-6-oxo-
CAS No: 1167056-72-5 Catalog No: AG000D3N MDL No:
Product Description
Catalog Number:
AG000D3N
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 6,7-dihydro-6-oxo-
CAS Number:
1167056-72-5
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C8H5N3O/c9-4-5-3-7(12)11-8-6(5)1-2-10-8/h1-3H,(H2,10,11,12)
InChI Key:
LQNBYALTBFDRAD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(=O)[nH]c2c1cc[nH]2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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