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Home > Pyridines > 1167056-59-8
1167056-59-8 | 1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile, 2,3-dihydro-2-oxo-
CAS No: 1167056-59-8 Catalog No: AG000D3Z MDL No:MFCD11845615
Product Description
Catalog Number:
AG000D3Z
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile, 2,3-dihydro-2-oxo-
CAS Number:
1167056-59-8
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
MDL Number:
MFCD11845615
IUPAC Name:
2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H5N3O/c9-4-5-1-2-6-7(10-5)3-8(12)11-6/h1-2H,3H2,(H,11,12)
InChI Key:
JRUDEYDNMPKRTB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)CC(=O)N2
Properties
Complexity:
254
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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