8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole

C12H15BrN2 — CID 83825912

IUPAC8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole
SMILESCN1CCC2c3cccc(Br)c3NC2C1
InChIInChI=1S/C12H15BrN2/c1-15-6-5-8-9-3-2-4-10(13)12(9)14-11(8)7-15/h2-4,8,11,14H,5-7H2,1H3
InChIKeyGKNMBLCSPFSBLQ-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.66
Rot. Bonds

About 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole

8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole (PubChem CID 83825912) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole
PubChem CID83825912
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole
SMILESCN1CCC2c3cccc(Br)c3NC2C1
InChIInChI=1S/C12H15BrN2/c1-15-6-5-8-9-3-2-4-10(13)12(9)14-11(8)7-15/h2-4,8,11,14H,5-7H2,1H3
InChIKeyGKNMBLCSPFSBLQ-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[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

6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 83820061
6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 76581904
(4aS)-6-(2,5-dichlorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 143131419
8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole
CID 146341834
(2R,7S)-4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 86736419
3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84626312
(2S,7S)-4-methyl-14-thia-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 56843495
2-(3-fluoro-1-methylpiperidin-4-yl)phenol
CID 83855916
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
2-(2-chlorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydroimidazo[4,5-c]pyridine
CID 162695102
(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 124676964
3,4-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-2-one
CID 141397653

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole?
The IUPAC name of 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole (CID 83825912) is 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole.
What is the SMILES notation for 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole?
The canonical SMILES for 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole is CN1CCC2c3cccc(Br)c3NC2C1.
What is the InChIKey of 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole?
The InChIKey is GKNMBLCSPFSBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-15-6-5-8-9-3-2-4-10(13)12(9)14-11(8)7-15/h2-4,8,11,14H,5-7H2,1H3.
What are the key properties of 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole?
8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole has a molecular weight of 267.17 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole is sourced from PubChem (CID 83825912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).