Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2[nH]cc(C3=CCNCC3)c2c1- InChIKey
KGYMINZNPVBXCA-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
Names & identifiers
- Preferred name
- 5-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
- IUPAC
- 5-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Names & synonyms
5-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole109793-85-35-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indoleCHEMBL283257SCHEMBL2930792KGYMINZNPVBXCA-UHFFFAOYSA-NBDBM50015718MFCD11212308DB-398729F4712115-Nitro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
Database identifiers
- PubChem CID
- 53263
- ChEMBL
CHEMBL283257- Nikkaji
- J336.564F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Related reactions
3 records
Compound notes
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