methyl 4-bromo-2-methyl-1H-indole-3-carboxylate

C11H10BrNO2 — CID 130049441

IUPACmethyl 4-bromo-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2cccc(Br)c12
InChIInChI=1S/C11H10BrNO2/c1-6-9(11(14)15-2)10-7(12)4-3-5-8(10)13-6/h3-5,13H,1-2H3
InChIKeyCMOVTFPXFYFVGE-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.03
Rot. Bonds1

About methyl 4-bromo-2-methyl-1H-indole-3-carboxylate

methyl 4-bromo-2-methyl-1H-indole-3-carboxylate (PubChem CID 130049441) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is methyl 4-bromo-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-2-methyl-1H-indole-3-carboxylate
PubChem CID130049441
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Namemethyl 4-bromo-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2cccc(Br)c12
InChIInChI=1S/C11H10BrNO2/c1-6-9(11(14)15-2)10-7(12)4-3-5-8(10)13-6/h3-5,13H,1-2H3
InChIKeyCMOVTFPXFYFVGE-UHFFFAOYSA-N
XLogP3.03
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone
CID 82382387
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 70166553
ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate
CID 54708469
methyl 3,4-dimethyl-1H-indole-2-carboxylate
CID 151780672
1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279193
methyl 2-bromo-6-formamidobenzoate
CID 177168055
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
methyl 2-butyl-4-methyl-1H-indole-3-carboxylate
CID 18946677
methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 4-bromo-2-methyl-1H-indole-3-carboxylate (CID 130049441) is methyl 4-bromo-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 4-bromo-2-methyl-1H-indole-3-carboxylate is COC(=O)c1c(C)[nH]c2cccc(Br)c12.
What is the InChIKey of methyl 4-bromo-2-methyl-1H-indole-3-carboxylate?
The InChIKey is CMOVTFPXFYFVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-6-9(11(14)15-2)10-7(12)4-3-5-8(10)13-6/h3-5,13H,1-2H3.
What are the key properties of methyl 4-bromo-2-methyl-1H-indole-3-carboxylate?
methyl 4-bromo-2-methyl-1H-indole-3-carboxylate has a molecular weight of 268.11 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 130049441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).