8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole

C12H11BrFN — CID 156888488

IUPAC8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCc1cc(F)c(Br)c2c3c([nH]c12)CCC3
InChIInChI=1S/C12H11BrFN/c1-6-5-8(14)11(13)10-7-3-2-4-9(7)15-12(6)10/h5,15H,2-4H2,1H3
InChIKeyLHIBOZZAJWMNAS-UHFFFAOYSA-N
MW268.13 g/mol
LogP3.87
Rot. Bonds

About 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole

8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 156888488) has the molecular formula C12H11BrFN and a molecular weight of 268.13 g/mol. Its IUPAC name is 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID156888488
Molecular FormulaC12H11BrFN
Molecular Weight268.13 g/mol
Exact Mass267.01
IUPAC Name8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCc1cc(F)c(Br)c2c3c([nH]c12)CCC3
InChIInChI=1S/C12H11BrFN/c1-6-5-8(14)11(13)10-7-3-2-4-9(7)15-12(6)10/h5,15H,2-4H2,1H3
InChIKeyLHIBOZZAJWMNAS-UHFFFAOYSA-N
XLogP3.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 156888488) is 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole is Cc1cc(F)c(Br)c2c3c([nH]c12)CCC3.
What is the InChIKey of 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is LHIBOZZAJWMNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN/c1-6-5-8(14)11(13)10-7-3-2-4-9(7)15-12(6)10/h5,15H,2-4H2,1H3.
What are the key properties of 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 268.13 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 156888488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).