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3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine

3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine

CAS: 1000340-29-3

Formula: C8H7IN2

SMILES: CC1=CC=C2C(I)=CNC2=N1

IUPAC: 3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C8H7IN2/c1-5-2-3-6-7(9)4-10-8(6)11-5/h2-4H,1H3,(H,10,11)

Composition: C (37.23%), H (2.73%), I (49.18%), N (10.86%)

Molar Mass: 258.062

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.96539
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey KCFDOTPIOWJBQX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.89
Topological Polar Surface Area 28.68
Polarizability 20.85
Ring Count 2
Rotatable Bond Count 0

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