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

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

CAS: 1132610-98-0

Formula: C10H8ClIN2O2

SMILES: CCOC(=O)C1=C(I)C2=CC(Cl)=CN=C2N1

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

InChI: InChI=1S/C10H8ClIN2O2/c1-2-16-10(15)8-7(12)6-3-5(11)4-13-9(6)14-8/h3-4H,2H2,1H3,(H,13,14)

Composition: C (34.26%), H (2.30%), Cl (10.11%), I (36.20%), N (7.99%), O (9.13%)

Molar Mass: 350.54

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 349.9319
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BKPNKKZRBYXENB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.76
Topological Polar Surface Area 54.98
Polarizability 27.45
Ring Count 2
Rotatable Bond Count 3

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95% <5 Days 1132610-98-0 Quote Only