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1613-71-4 | [2,2'-Bipyridine]-4-carbonitrile
CAS No: 1613-71-4 Catalog No: AG001SC1 MDL No:MFCD11042485
Product Description
Catalog Number:
AG001SC1
Chemical Name:
[2,2'-Bipyridine]-4-carbonitrile
CAS Number:
1613-71-4
Molecular Formula:
C11H7N3
Molecular Weight:
181.1934
MDL Number:
MFCD11042485
IUPAC Name:
2-pyridin-2-ylpyridine-4-carbonitrile
InChI:
InChI=1S/C11H7N3/c12-8-9-4-6-14-11(7-9)10-3-1-2-5-13-10/h1-7H
InChI Key:
PUYQQJHWPHTKJK-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)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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