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Home > Pyridines > 1152822-31-5
1152822-31-5 | 3-Pyridinecarbonitrile, 2-(1H-pyrazol-1-yl)-
CAS No: 1152822-31-5 Catalog No: AG000GJJ MDL No:MFCD09863419
Product Description
Catalog Number:
AG000GJJ
Chemical Name:
3-Pyridinecarbonitrile, 2-(1H-pyrazol-1-yl)-
CAS Number:
1152822-31-5
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD09863419
IUPAC Name:
2-pyrazol-1-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H6N4/c10-7-8-3-1-4-11-9(8)13-6-2-5-12-13/h1-6H
InChI Key:
TXYIYGOHWGLULK-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1n1cccn1
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
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