Home Nitriles 6-(1H-Imidazol-1-yl);nicotinonitrile

6-(1H-Imidazol-1-yl);nicotinonitrile

CAS No.:
923156-23-4
Catalog Number:
AG0067ZG
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
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Product Description
Catalog Number:
AG0067ZG
Chemical Name:
6-(1H-Imidazol-1-yl);nicotinonitrile
CAS Number:
923156-23-4
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD08691169
IUPAC Name:
6-imidazol-1-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H6N4/c10-5-8-1-2-9(12-6-8)13-4-3-11-7-13/h1-4,6-7H
InChI Key:
VIQLFEWGPFBJND-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)n1cncc1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties