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3-iodo-6-oxo-1H-[2,2'-bipyridine]-5-carbonitrile

3-iodo-6-oxo-1H-[2,2'-bipyridine]-5-carbonitrile

CAS: 1092352-61-8

Formula: C11H6IN3O

SMILES: IC1=C(NC(=O)C(=C1)C#N)C1=NC=CC=C1

IUPAC: 3-iodo-6-oxo-1,6-dihydro-[2,2'-bipyridine]-5-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)

Composition: C (40.89%), H (1.87%), I (39.28%), N (13.01%), O (4.95%)

Molar Mass: 323.093

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 322.95556
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AEGWRZNSEPULFN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.53
Topological Polar Surface Area 65.78
Polarizability 25.43
Ring Count 2
Rotatable Bond Count 1

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