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4-iodo-1H,3H-pyrrolo[2,3-b]pyridin-2-one

4-iodo-1H,3H-pyrrolo[2,3-b]pyridin-2-one

CAS: 1190321-89-1

Formula: C7H5IN2O

SMILES: IC1=C2CC(=O)NC2=NC=C1

IUPAC: 4-iodo-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one

InChI: InChI=1S/C7H5IN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)

Composition: C (32.33%), H (1.94%), I (48.80%), N (10.77%), O (6.15%)

Molar Mass: 260.034

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 259.94466
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LFCYGWNRRRKZPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.1
Topological Polar Surface Area 41.99
Polarizability 18.92
Ring Count 2
Rotatable Bond Count 0

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