7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole

C10H11BrClN — CID 80502935

IUPAC7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2c(Br)cc(Cl)cc21
InChIInChI=1S/C10H11BrClN/c1-10(2)5-13-9-7(10)3-6(12)4-8(9)11/h3-4,13H,5H2,1-2H3
InChIKeyKCFCGFMPNCHZRL-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.81
Rot. Bonds

About 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole

7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole (PubChem CID 80502935) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole
PubChem CID80502935
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2c(Br)cc(Cl)cc21
InChIInChI=1S/C10H11BrClN/c1-10(2)5-13-9-7(10)3-6(12)4-8(9)11/h3-4,13H,5H2,1-2H3
InChIKeyKCFCGFMPNCHZRL-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole (CID 80502935) is 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole is CC1(C)CNc2c(Br)cc(Cl)cc21.
What is the InChIKey of 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is KCFCGFMPNCHZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c1-10(2)5-13-9-7(10)3-6(12)4-8(9)11/h3-4,13H,5H2,1-2H3.
What are the key properties of 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole?
7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 260.56 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 80502935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).