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

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

CAS: 944937-30-8

Formula: C9H7IN2O2

SMILES: COC(=O)C1=CN=C2NC=C(I)C2=C1

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

InChI: InChI=1S/C9H7IN2O2/c1-14-9(13)5-2-6-7(10)4-12-8(6)11-3-5/h2-4H,1H3,(H,11,12)

Composition: C (35.79%), H (2.34%), I (42.01%), N (9.27%), O (10.59%)

Molar Mass: 302.071

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 301.95522
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ABEUCTPKYMGJPZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.33
Topological Polar Surface Area 54.98
Polarizability 23.65
Ring Count 2
Rotatable Bond Count 2

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