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

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

CAS: 900514-07-0

Formula: C8H5IN2O

SMILES: IC1=CNC2=NC=C(C=O)C=C12

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

InChI: InChI=1S/C8H5IN2O/c9-7-3-11-8-6(7)1-5(4-12)2-10-8/h1-4H,(H,10,11)

Composition: C (35.32%), H (1.85%), I (46.65%), N (10.30%), O (5.88%)

Molar Mass: 272.045

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 271.94466
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DLDQOJMZUSYGSE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.89
Topological Polar Surface Area 45.75
Polarizability 21.08
Ring Count 2
Rotatable Bond Count 1

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