ethyl 1-(2,3-difluorobenzyl)-4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

HCID 71209259
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Basic information

Standard SMILES
CCOC(=O)c1c(C)nc2c(ccn2Cc2cccc(F)c2F)c1I
InChIKey
KIKCKQGFFPTUMW-UHFFFAOYSA-N
Molecular formula
C18H15F2IN2O2
Average molar mass
456.2 g/mol
Monoisotopic mass
456.01463

Names & identifiers

Preferred name
ethyl 1-(2,3-difluorobenzyl)-4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
IUPAC
ethyl 1-[(2,3-difluorophenyl)methyl]-4-iodo-6-methylpyrrolo[2,3-b]pyridine-5-carboxylate

Names & synonyms

SCHEMBL14576929KIKCKQGFFPTUMW-UHFFFAOYSA-Nethyl 1-(2,3-difluorobenzyl)-4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

Database identifiers

PubChem CID
71209259

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
25

Related reactions

4 records
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Compound notes

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