9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(4-pyridyl)-
Basic information
- CAS
3380-84-5- Standard SMILES
c1ccc2c3c([nH]c2c1)C(c1ccncc1)NCC3- InChIKey
MTYAQGYHCVXXRK-UHFFFAOYSA-N- Molecular formula
- C16H15N3
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.12659749
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(4-pyridyl)-
- IUPAC
- 1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Names & synonyms
3380-84-59H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(4-pyridyl)-BRN 06188821-(4-Pyridino)tetrahydronorharman5-26-02-00489 (Beilstein Handbook Reference)RefChem:3136341-(4-pyridinyl)-2,3,4,9-tetrahydro-1H-beta-carboline1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole1-(Pyridin-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indoleDTXSID00955389MFCD00543784STK893969
Show more names
AKOS0051439231-(4-pyridyl)-2,3,4,9-tetrahydro-1H-beta-carboline1-(pyridin-4-yl)-2,3,4,9-tetrahydro-1H-beta-carboline1-(4-pyridyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(4-pyridinyl)-
Database identifiers
- CAS
3380-84-5- PubChem CID
- 201187
- DTXSID
DTXSID00955389- Nikkaji
- J85.859E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
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Compound notes
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