methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate

C11H10BrNO3 — CID 7141912

IUPACmethyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)ccc(Br)c2[nH]1
InChIInChI=1S/C11H10BrNO3/c1-15-9-4-3-7(12)10-6(9)5-8(13-10)11(14)16-2/h3-5,13H,1-2H3
InChIKeyXTTAVMSLGSKAMR-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.73
Rot. Bonds2

About methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate

methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate (PubChem CID 7141912) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
PubChem CID7141912
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Namemethyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)ccc(Br)c2[nH]1
InChIInChI=1S/C11H10BrNO3/c1-15-9-4-3-7(12)10-6(9)5-8(13-10)11(14)16-2/h3-5,13H,1-2H3
InChIKeyXTTAVMSLGSKAMR-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 4-bromo-6,7-dimethoxy-1H-indole-2-carboxylate
CID 7144594
7-bromo-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoyl]phenyl]-4-methoxy-1H-indole-2-carboxamide
CID 167873388
7-bromo-4-methoxy-2-propan-2-yl-1H-indole
CID 174995536
dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10660138
7-acetyl-4-methoxy-1H-indole-2-carboxylic acid
CID 12908193
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
CID 114252907
methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate
CID 16726758
methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 46738864
methyl 4-bromo-5-[(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carboxylate
CID 10651857
methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate
CID 122232254
(2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 51342241
methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102453349

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate (CID 7141912) is methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate is COC(=O)c1cc2c(OC)ccc(Br)c2[nH]1.
What is the InChIKey of methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate?
The InChIKey is XTTAVMSLGSKAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-15-9-4-3-7(12)10-6(9)5-8(13-10)11(14)16-2/h3-5,13H,1-2H3.
What are the key properties of methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate?
methyl 7-bromo-4-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 7-bromo-4-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 7141912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).