8-Bromo-2,3,4,5-tetrahydro-2-methyl-1H-pyrido(4,3-b)indole

HCID 199816CAS 5055-01-6

Substructure search Find similar structures

Basic information

Standard SMILES: CN1CCc2[nH]c3ccc(Br)cc3c2C1
InChIKey: HFILMDDJKHXWEL-UHFFFAOYSA-N
Molecular formula: C12H13BrN2
Average molar mass: 265.15 g/mol
Monoisotopic mass: 264.02621052

Names & identifiers

Preferred name: 8-Bromo-2,3,4,5-tetrahydro-2-methyl-1H-pyrido(4,3-b)indole
IUPAC: 8-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
English name: 8-bromo-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Molecular formula: C12H13BrN2
Molecular weight: 265.15

Names & synonyms

5055-01-61H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-8-bromo-2-methyl-DTXSID30198580RefChem:1074668DTXCID901210718-Bromo-2,3,4,5-tetrahydro-2-methyl-1H-pyrido(4,3-b)indole8-Bromo-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole8-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indoleMFCD002667362,3,4,5-Tetrahydro-8-bromo-2-methyl-1H-pyrido(4,3-b)indole8-BROMO-2-METHYL-1H,2H,3H,4H,5H-PYRIDO[4,3-B]INDOLEBRN 0169784

Show more names

2,3,4,5-Tetrahydro-8-bromo-2-methyl-1H-pyrido[4,3-b]indole1H-Pyrido[4,3-b]indole, 8-bromo-2,3,4,5-tetrahydro-2-methyl-

SCHEMBL407913ALBB-007675STK504703AKOS004119548LS-02855CS-00625236-Bromo-3-methyl-1,2,3,4-tetrahydrocarbolineD73211

Database identifiers

CAS: 5055-01-6
PubChem CID: 199816
DTXSID: DTXSID30198580
Nikkaji: J85.813G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 19 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 246

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501