methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate

C11H10BrNO3 — CID 16726758

IUPACmethyl 5-bromo-6-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(Br)c(OC)cc2[nH]1
InChIInChI=1S/C11H10BrNO3/c1-15-10-5-8-6(3-7(10)12)4-9(13-8)11(14)16-2/h3-5,13H,1-2H3
InChIKeyOSNOEKHDXHSQPU-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.73
Rot. Bonds2

About methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate

methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate (PubChem CID 16726758) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-6-methoxy-1H-indole-2-carboxylate
PubChem CID16726758
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Namemethyl 5-bromo-6-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(Br)c(OC)cc2[nH]1
InChIInChI=1S/C11H10BrNO3/c1-15-10-5-8-6(3-7(10)12)4-9(13-8)11(14)16-2/h3-5,13H,1-2H3
InChIKeyOSNOEKHDXHSQPU-UHFFFAOYSA-N
XLogP2.73
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5,6-dimethyl-1H-indole-2-carboxylate
CID 10867407
methyl 5,6-dihydroxy-1H-indole-2-carboxylate
CID 22162548
5-fluoro-6-methyl-1H-indole-2-carboxylic acid;methyl 5-fluoro-6-methyl-1H-indole-2-carboxylate
CID 160768064
methyl 3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 16768515
methyl 5-ethoxy-6-hydroxy-1H-indole-2-carboxylate
CID 168814856
ethyl 5-bromo-6-(2-methylprop-2-enoxy)-1H-indole-2-carboxylate
CID 89423079
ethyl 5-iodo-6-methoxy-1H-indole-2-carboxylate
CID 118029444
methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
CID 7141912
methyl 4-bromo-6,7-dimethoxy-1H-indole-2-carboxylate
CID 7144594
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
methyl 5-methylsulfanyl-1H-indole-2-carboxylate
CID 145163605
(2-methoxycarbonyl-1H-indol-5-yl)boronic acid
CID 21014347

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate (CID 16726758) is methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate is COC(=O)c1cc2cc(Br)c(OC)cc2[nH]1.
What is the InChIKey of methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate?
The InChIKey is OSNOEKHDXHSQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-15-10-5-8-6(3-7(10)12)4-9(13-8)11(14)16-2/h3-5,13H,1-2H3.
What are the key properties of methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate?
methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate has a molecular weight of 284.11 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 16726758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).