6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole

C13H14BrN — CID 104509007

IUPAC6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1cc(Br)cc2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H14BrN/c1-8-6-9(14)7-11-10-4-2-3-5-12(10)15-13(8)11/h6-7,15H,2-5H2,1H3
InChIKeyNXSIHOASRIWKPH-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.12
Rot. Bonds

About 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole

6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 104509007) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID104509007
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1cc(Br)cc2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H14BrN/c1-8-6-9(14)7-11-10-4-2-3-5-12(10)15-13(8)11/h6-7,15H,2-5H2,1H3
InChIKeyNXSIHOASRIWKPH-UHFFFAOYSA-N
XLogP4.12
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 7074175
6-bromo-8-methyl-2,3,4,9-tetrahydrocarbazol-1-one
CID 104508949
5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10923627
8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 156888488
7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole
CID 84622011
6-bromo-8-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589018
6-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 22493297
2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
CID 65335430
7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 61381863
1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-3-amine
CID 10036189
7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 139234350
6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
CID 143085891

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole (CID 104509007) is 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole is Cc1cc(Br)cc2c3c([nH]c12)CCCC3.
What is the InChIKey of 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is NXSIHOASRIWKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-8-6-9(14)7-11-10-4-2-3-5-12(10)15-13(8)11/h6-7,15H,2-5H2,1H3.
What are the key properties of 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole?
6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 264.17 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 104509007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).