3-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine

HCID 11673285

Notes Reactions

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Basic information

CAS: 866545-87-1
Standard SMILES: COc1ccc(-c2c[nH]c3ncccc23)cc1OC
InChIKey: DPGYSJOJGFCBRN-UHFFFAOYSA-N
Molecular formula: C15H14N2O2
Average molar mass: 254.28 g/mol
Monoisotopic mass: 254.10552769

Names & identifiers

Preferred name: 3-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine
IUPAC: 3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

Names & synonyms

3-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine866545-87-13-(3,4-DIMETHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDINESCHEMBL857208DTXSID20470408DPGYSJOJGFCBRN-UHFFFAOYSA-NEBC-515384DB-2935383-(3,4-dimethoxy-phenyl)-1H-pyrrolo [2,3-b]pyridine3-(3,4-Dimethoxy-phenyl)-1H-pyrrolo-[2,3-b]pyridine

Database identifiers

CAS: 866545-87-1
PubChem CID: 11673285
DTXSID: DTXSID20470408

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 47.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 300

Related reactions

17 records

New reaction record

HRID 101093As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 121625As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 158435As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 175721As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 196175As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 825072As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1213995As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1820877As productuspto-grants-2009_10

Compound notes

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