5-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

HCID 53263

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

Related reactions

3 records

Compound notes

Loading…