5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C12H13BrN2 — CID 83902348

IUPAC5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCn1c2c(c3c(Br)cccc31)CCNC2
InChIInChI=1S/C12H13BrN2/c1-15-10-4-2-3-9(13)12(10)8-5-6-14-7-11(8)15/h2-4,14H,5-7H2,1H3
InChIKeyBYBFAUNYQPOPMC-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.59
Rot. Bonds

About 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 83902348) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID83902348
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCn1c2c(c3c(Br)cccc31)CCNC2
InChIInChI=1S/C12H13BrN2/c1-15-10-4-2-3-9(13)12(10)8-5-6-14-7-11(8)15/h2-4,14H,5-7H2,1H3
InChIKeyBYBFAUNYQPOPMC-UHFFFAOYSA-N
XLogP2.59
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 83880773
5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82492831
9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol
CID 83881219
6-tert-butyl-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82497329
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82495192
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 91006614
3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588434
8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 105494350
8-bromo-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10467319
10-bromo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 142130624
4-bromo-1,3-dimethyl-2-phenylindole
CID 68814415

Frequently Asked Questions

What is the IUPAC name of 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 83902348) is 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is Cn1c2c(c3c(Br)cccc31)CCNC2.
What is the InChIKey of 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is BYBFAUNYQPOPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-15-10-4-2-3-9(13)12(10)8-5-6-14-7-11(8)15/h2-4,14H,5-7H2,1H3.
What are the key properties of 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 265.15 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 83902348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).