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1802-28-4 | [2,2'-Bipyridine]-5-carbonitrile
CAS No: 1802-28-4 Catalog No: AG0021S8 MDL No:
Product Description
Catalog Number:
AG0021S8
Chemical Name:
[2,2'-Bipyridine]-5-carbonitrile
CAS Number:
1802-28-4
Molecular Formula:
C11H7N3
Molecular Weight:
181.1934
IUPAC Name:
6-pyridin-2-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C11H7N3/c12-7-9-4-5-11(14-8-9)10-3-1-2-6-13-10/h1-6,8H
InChI Key:
PXIRMJXGWBMBHR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)c1ccccn1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.198g/mol
Monoisotopic Mass:
181.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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