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

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

CAS: 2091464-45-6

Formula: C7H7IN2

SMILES: IC1=CN=C2NCCC2=C1

IUPAC: 5-iodo-1H,2H,3H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C7H7IN2/c8-6-3-5-1-2-9-7(5)10-4-6/h3-4H,1-2H2,(H,9,10)

Composition: C (34.17%), H (2.87%), I (51.58%), N (11.39%)

Molar Mass: 246.051

Atom Count: 17

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 245.96539
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FMLLRQGADINDSI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.08
Topological Polar Surface Area 24.92
Polarizability 18.67
Ring Count 2
Rotatable Bond Count 0

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