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1092352-61-8 | 3-iodo-6-oxo-1,6-dihydro-[2,2'-bipyridine]-5-carbonitrile
CAS No: 1092352-61-8 Catalog No: AG00IST0 MDL No:MFCD11553043
Product Description
Catalog Number:
AG00IST0
Chemical Name:
3-iodo-6-oxo-1,6-dihydro-[2,2'-bipyridine]-5-carbonitrile
CAS Number:
1092352-61-8
Molecular Formula:
C11H6IN3O
Molecular Weight:
323.0893
MDL Number:
MFCD11553043
IUPAC Name:
5-iodo-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C11H6IN3O/c12-8-5-7(6-13)11(16)15-10(8)9-3-1-2-4-14-9/h1-5H,(H,15,16)
InChI Key:
AEGWRZNSEPULFN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)c([nH]c1=O)c1ccccn1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.956g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.093g/mol
Monoisotopic Mass:
322.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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