6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid
Basic information
- CAS
58479-48-4- Standard SMILES
Cc1ccc(CC[NH+]2C3=C(CCC(C(=O)O)C3)c3cc(Cl)ccc32)cn1.[Cl-]- InChIKey
AXNKKKFNADVIAJ-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2N2O2
- Average molar mass
- 405.3 g/mol
- Monoisotopic mass
- 404.1058333
Overview
RN given refers to HCl; RN for parent cpd not in Chemline 8/4/83; structure
Names & identifiers
- Preferred name
- 6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid
- IUPAC
- 6-chloro-9-[2-(6-methyl-3-pyridinyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-9-ium-2-carboxylic acid chloride
Names & synonyms
6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid58479-48-4RefChem:1044206-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid HCl1H-Carbazole-2-carboxylic acid, 2,3,4,9-tetrahydro-6-chloro-9-(2-(6-methyl-3-pyridinyl)ethyl)-, monohydrochloride6-chloro-9-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-9-ium-2-carboxylic acid;chloride6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4- tetrahydrocarbazole-2-carboxylic acid
Database identifiers
- CAS
58479-48-4- PubChem CID
- 42757
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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