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1167056-62-3

1167056-62-3 | 1H-Pyrrolo[2,3-c]pyridine-5-carbonitrile, 2,3-dihydro-2-oxo-

CAS No: 1167056-62-3 Catalog No: AG000D3W MDL No:

Product Description

Catalog Number:
AG000D3W
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-5-carbonitrile, 2,3-dihydro-2-oxo-
CAS Number:
1167056-62-3
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H5N3O/c9-3-6-1-5-2-8(12)11-7(5)4-10-6/h1,4H,2H2,(H,11,12)
InChI Key:
DFQOVFKPFYSOLD-UHFFFAOYSA-N
SMILES:
N#Cc1ncc2c(c1)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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