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3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

CAS: 956485-59-9

Formula: C8H4IN3

SMILES: IC1=CNC2=NC=CC(C#N)=C12

IUPAC: 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

InChI: InChI=1S/C8H4IN3/c9-6-4-12-8-7(6)5(3-10)1-2-11-8/h1-2,4H,(H,11,12)

Composition: C (35.71%), H (1.50%), I (47.17%), N (15.62%)

Molar Mass: 269.045

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.94499
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ISSYSBAEUNYLCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.02
Topological Polar Surface Area 52.47
Polarizability 20.99
Ring Count 2
Rotatable Bond Count 0

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