3-[2-(4-Pyridyl)ethyl]indole hydrochloride
Basic information
- CAS
16571-50-9- Standard SMILES
Cl.c1ccc2c(CCc3ccncc3)c[nH]c2c1- InChIKey
PBTLILOQGAAHIW-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2
- Average molar mass
- 258.74 g/mol
- Monoisotopic mass
- 258.0923762
Overview
See also: Indole, 3-(2-(4-pyridyl)ethyl)-, monohydrochloride (preferred).
Names & identifiers
- Preferred name
- 3-[2-(4-Pyridyl)ethyl]indole hydrochloride
- IUPAC
- 3-(2-pyridin-4-ylethyl)-1H-indole;hydrochloride
Names & synonyms
NSC-521454Q4WN36CNM7DTXSID00937120NSC521454WLN: T56 BMJ D2- DT6NJ &GH3-[2-(4-Pyridyl)ethyl]indole hydrochlorideIndole, 3-[2-(4-pyridyl)ethyl]-, hydrochloride1H-Indole, 3-[2-(4-pyridinyl)ethyl]-, hydrochloride (1:1)3-[2-(Pyridin-4-yl)ethyl]-1H-indole--hydrogen chloride (1/1)
Database identifiers
- CAS
16571-50-9- PubChem CID
- 24201611
- DTXSID
DTXSID00937120- UNII
- Q4WN36CNM7
Properties
Computed structural properties
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
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Related reactions
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Compound notes
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