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Home > Pyridines > 1529095-88-2
1529095-88-2 | 2-hydroxy-5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carbonitrile
CAS No: 1529095-88-2 Catalog No: AG01AUAX MDL No:MFCD26709500
Product Description
Catalog Number:
AG01AUAX
Chemical Name:
2-hydroxy-5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carbonitrile
CAS Number:
1529095-88-2
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD26709500
IUPAC Name:
2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C8H7N3O/c9-2-5-1-6-3-10-4-7(6)11-8(5)12/h1,10H,3-4H2,(H,11,12)
InChI Key:
MMNWZQBZNKSKPX-UHFFFAOYSA-N
SMILES:
N#Cc1cc2CNCc2nc1O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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