methyl 3-bromo-1-methylindole-6-carboxylate

C11H10BrNO2 — CID 53429640

IUPACmethyl 3-bromo-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(Br)cn(C)c2c1
InChIInChI=1S/C11H10BrNO2/c1-13-6-9(12)8-4-3-7(5-10(8)13)11(14)15-2/h3-6H,1-2H3
InChIKeyBNUJUFJNYWGDTC-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.73
Rot. Bonds1

About methyl 3-bromo-1-methylindole-6-carboxylate

methyl 3-bromo-1-methylindole-6-carboxylate (PubChem CID 53429640) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is methyl 3-bromo-1-methylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-1-methylindole-6-carboxylate
PubChem CID53429640
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Namemethyl 3-bromo-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(Br)cn(C)c2c1
InChIInChI=1S/C11H10BrNO2/c1-13-6-9(12)8-4-3-7(5-10(8)13)11(14)15-2/h3-6H,1-2H3
InChIKeyBNUJUFJNYWGDTC-UHFFFAOYSA-N
XLogP2.73
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl indole-6-carboxylate
CID 639844
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
methyl 1-methoxy-1H-indole-3-carboxylate
CID 10465540
methyl 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole-6-carboxylate
CID 11632670
Methyl 6-Bromo-1H-Indole-3-Carboxylate
CID 11499811
1-Methyl-1H-indole-6-carboxylic acid
CID 19819261
ethyl 3-(pyridin-4-yl)-1H-indole-6-carboxylate
CID 44410730
methyl 1-(4-fluorobenzyl)-1H-indole-3-carboxylate
CID 951976
Ethyl 4-(1-benzylindol-3-yl)benzoate
CID 118714099
Methyl 5-bromo-1H-indole-3-carboxylate
CID 285091
Methyl indolizine-2-carboxylate
CID 600232
Methyl N-methylindole-6-carboxylate
CID 639843

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-1-methylindole-6-carboxylate?
The IUPAC name of methyl 3-bromo-1-methylindole-6-carboxylate (CID 53429640) is methyl 3-bromo-1-methylindole-6-carboxylate.
What is the SMILES notation for methyl 3-bromo-1-methylindole-6-carboxylate?
The canonical SMILES for methyl 3-bromo-1-methylindole-6-carboxylate is COC(=O)c1ccc2c(Br)cn(C)c2c1.
What is the InChIKey of methyl 3-bromo-1-methylindole-6-carboxylate?
The InChIKey is BNUJUFJNYWGDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-13-6-9(12)8-4-3-7(5-10(8)13)11(14)15-2/h3-6H,1-2H3.
What are the key properties of methyl 3-bromo-1-methylindole-6-carboxylate?
methyl 3-bromo-1-methylindole-6-carboxylate has a molecular weight of 268.11 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-1-methylindole-6-carboxylate is sourced from PubChem (CID 53429640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).