7-[(4-Chlorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine

HCID 68705751

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Basic information

CAS: 882681-75-6
Standard SMILES: Cc1[nH]c2c(OCc3ccc(Cl)cc3)ccnc2c1C
InChIKey: WRXCWAAXLHPCEL-UHFFFAOYSA-N
Molecular formula: C16H15ClN2O
Average molar mass: 286.75 g/mol
Monoisotopic mass: 286.0872908

Names & identifiers

Preferred name: 7-[(4-Chlorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine
IUPAC: 7-[(4-chlorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine

Names & synonyms

882681-75-67-[(4-Chlorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridineSCHEMBL3592904SCHEMBL27679198DTXSID20738873WRXCWAAXLHPCEL-UHFFFAOYSA-N7-(4-chlorobenzyloxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine

Database identifiers

CAS: 882681-75-6
PubChem CID: 68705751
DTXSID: DTXSID20738873

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 37.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 320

Related reactions

1 records

New reaction record

HRID 1988839As reactantuspto-grants-2010_01

Compound notes

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