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1802-33-1 | 3,3'-bipyridine-5-carbonitrile
CAS No: 1802-33-1 Catalog No: AG0021S4 MDL No:MFCD15475311
Product Description
Catalog Number:
AG0021S4
Chemical Name:
3,3'-bipyridine-5-carbonitrile
CAS Number:
1802-33-1
Molecular Formula:
C11H7N3
Molecular Weight:
181.1934
MDL Number:
MFCD15475311
IUPAC Name:
5-pyridin-3-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C11H7N3/c12-5-9-4-11(8-14-6-9)10-2-1-3-13-7-10/h1-4,6-8H
InChI Key:
XNLNVPMNYUHAIL-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)c1cccnc1
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:
1.1
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