methyl 2-(1-(2,3-difluorobenzyl)-4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-oxoacetate

HCID 71209320
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Basic information

Standard SMILES
COC(=O)C(=O)c1c(C)nc2c(ccn2Cc2cccc(F)c2F)c1I
InChIKey
WNQCTNPSIUVAQZ-UHFFFAOYSA-N
Molecular formula
C18H13F2IN2O3
Average molar mass
470.2 g/mol
Monoisotopic mass
469.9939

Names & identifiers

Preferred name
methyl 2-(1-(2,3-difluorobenzyl)-4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-oxoacetate
IUPAC
methyl 2-[1-[(2,3-difluorophenyl)methyl]-4-iodo-6-methylpyrrolo[2,3-b]pyridin-5-yl]-2-oxoacetate

Names & synonyms

SCHEMBL14577053WNQCTNPSIUVAQZ-UHFFFAOYSA-Nmethyl 2-(1-(2,3-difluorobenzyl)-4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-oxoacetate

Database identifiers

PubChem CID
71209320

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
61.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
26

Related reactions

4 records
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Compound notes

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