Home Nitriles 6-(1H-Pyrazol-1-yl)nicotinonitrile

6-(1H-Pyrazol-1-yl)nicotinonitrile

CAS No.:
956568-52-8
Catalog Number:
AG006C8U
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
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Product Description
Catalog Number:
AG006C8U
Chemical Name:
6-(1H-Pyrazol-1-yl)nicotinonitrile
CAS Number:
956568-52-8
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD08444474
IUPAC Name:
6-pyrazol-1-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H6N4/c10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h1-5,7H
InChI Key:
JIVJRKSMKHGTLT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)n1cccn1
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:
0.9  
Properties