2-bromo-3,6-dimethyl-1H-indole;carbon dioxide

C11H10BrNO2 — CID 158710604

IUPAC2-bromo-3,6-dimethyl-1H-indole;carbon dioxide
SMILESCc1ccc2c(C)c(Br)[nH]c2c1.O=C=O
InChIInChI=1S/C10H10BrN.CO2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6;2-1-3/h3-5,12H,1-2H3;
InChIKeyIIQZIVIILBGEQM-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.96
Rot. Bonds

About 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide

2-bromo-3,6-dimethyl-1H-indole;carbon dioxide (PubChem CID 158710604) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide.

Molecular Properties

Compound Name2-bromo-3,6-dimethyl-1H-indole;carbon dioxide
PubChem CID158710604
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-bromo-3,6-dimethyl-1H-indole;carbon dioxide
SMILESCc1ccc2c(C)c(Br)[nH]c2c1.O=C=O
InChIInChI=1S/C10H10BrN.CO2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6;2-1-3/h3-5,12H,1-2H3;
InChIKeyIIQZIVIILBGEQM-UHFFFAOYSA-N
XLogP2.96
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine
CID 84634871
3-methyl-5H-phenanthridin-6-one
CID 59877971
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
3,6-dimethyl-2-piperidin-4-yl-1H-indole
CID 84625661
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
ethyl 2-(3,6-dimethyl-1H-indol-2-yl)-2-oxoacetate
CID 115072754
2-methyl-7-propan-2-yl-9H-carbazole
CID 70868316
6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 83488076
N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide
CID 113205033
3-(chloromethyl)-2,6-dimethyl-1H-indole
CID 130049399

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide?
The IUPAC name of 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide (CID 158710604) is 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide.
What is the SMILES notation for 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide?
The canonical SMILES for 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide is Cc1ccc2c(C)c(Br)[nH]c2c1.O=C=O.
What is the InChIKey of 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide?
The InChIKey is IIQZIVIILBGEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN.CO2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6;2-1-3/h3-5,12H,1-2H3;.
What are the key properties of 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide?
2-bromo-3,6-dimethyl-1H-indole;carbon dioxide has a molecular weight of 268.11 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,6-dimethyl-1H-indole;carbon dioxide is sourced from PubChem (CID 158710604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).