Acetic acid 4-(3-iodo-pyrrolo[2,3-c]pyridin-1-ylmethyl)-phenyl ester

HCID 69217841
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Basic information

Standard SMILES
CC(=O)Oc1ccc(Cn2cc(I)c3ccncc32)cc1
InChIKey
FMUALRGMZJJUGT-UHFFFAOYSA-N
Molecular formula
C16H13IN2O2
Average molar mass
392.19 g/mol

Names & identifiers

Preferred name
Acetic acid 4-(3-iodo-pyrrolo[2,3-c]pyridin-1-ylmethyl)-phenyl ester
IUPAC
[4-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl] acetate

Names & synonyms

SCHEMBL4852987FMUALRGMZJJUGT-UHFFFAOYSA-NAcetic acid 4-(3-iodo-pyrrolo[2,3-c]pyridin-1-ylmethyl)-phenyl ester

Database identifiers

PubChem CID
69217841

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
21

Related reactions

1 records
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Compound notes

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