5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid

C11H10BrNO3 — CID 84715252

IUPAC5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid
SMILESCOc1c(Br)ccc2[nH]c(C(=O)O)c(C)c12
InChIInChI=1S/C11H10BrNO3/c1-5-8-7(13-9(5)11(14)15)4-3-6(12)10(8)16-2/h3-4,13H,1-2H3,(H,14,15)
InChIKeyISXWLKDUBGUXKH-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.95
Rot. Bonds2

About 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid

5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid (PubChem CID 84715252) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid
PubChem CID84715252
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid
SMILESCOc1c(Br)ccc2[nH]c(C(=O)O)c(C)c12
InChIInChI=1S/C11H10BrNO3/c1-5-8-7(13-9(5)11(14)15)4-3-6(12)10(8)16-2/h3-4,13H,1-2H3,(H,14,15)
InChIKeyISXWLKDUBGUXKH-UHFFFAOYSA-N
XLogP2.95
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82249314
3-methyl-4-nitro-1H-indole-2,5-dicarboxylic acid
CID 131884124
methyl 4-bromo-5-iodo-3-methyl-1H-indole-2-carboxylate
CID 147025487
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
3,4-dibromo-2-methoxybenzoic acid
CID 171002402
1-(5-bromo-4-methoxy-2-methyl-1-benzofuran-3-yl)ethanone
CID 84715219
2-(4-methoxy-2-methyl-1H-indol-5-yl)-2-oxoacetic acid
CID 117337552
3-amino-4-bromo-1H-indole-2-carboxylic acid
CID 84804837
1-(3-bromo-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605
methyl 3,4-dimethyl-1H-indole-2-carboxylate
CID 151780672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid (CID 84715252) is 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid is COc1c(Br)ccc2[nH]c(C(=O)O)c(C)c12.
What is the InChIKey of 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid?
The InChIKey is ISXWLKDUBGUXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-5-8-7(13-9(5)11(14)15)4-3-6(12)10(8)16-2/h3-4,13H,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid?
5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid has a molecular weight of 284.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-3-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 84715252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).