5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole

C11H13BrClN — CID 165498852

IUPAC5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole
SMILESCc1cc(Br)c(Cl)c2c1NCC2(C)C
InChIInChI=1S/C11H13BrClN/c1-6-4-7(12)9(13)8-10(6)14-5-11(8,2)3/h4,14H,5H2,1-3H3
InChIKeyZUEFGFMCEHUXBY-UHFFFAOYSA-N
MW274.59 g/mol
LogP4.11
Rot. Bonds

About 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole

5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole (PubChem CID 165498852) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole
PubChem CID165498852
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole
SMILESCc1cc(Br)c(Cl)c2c1NCC2(C)C
InChIInChI=1S/C11H13BrClN/c1-6-4-7(12)9(13)8-10(6)14-5-11(8,2)3/h4,14H,5H2,1-3H3
InChIKeyZUEFGFMCEHUXBY-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole?
The IUPAC name of 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole (CID 165498852) is 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole.
What is the SMILES notation for 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole?
The canonical SMILES for 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole is Cc1cc(Br)c(Cl)c2c1NCC2(C)C.
What is the InChIKey of 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole?
The InChIKey is ZUEFGFMCEHUXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-6-4-7(12)9(13)8-10(6)14-5-11(8,2)3/h4,14H,5H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole?
5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole has a molecular weight of 274.59 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole is sourced from PubChem (CID 165498852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).