6-bromo-2-methyl-1H-indole-3-carboxylic acid

C10H8BrNO2 — CID 71463797

IUPAC6-bromo-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2cc(Br)ccc2c1C(=O)O
InChIInChI=1S/C10H8BrNO2/c1-5-9(10(13)14)7-3-2-6(11)4-8(7)12-5/h2-4,12H,1H3,(H,13,14)
InChIKeyLIWQAXXJLJKBKP-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.94
Rot. Bonds1

About 6-bromo-2-methyl-1H-indole-3-carboxylic acid

6-bromo-2-methyl-1H-indole-3-carboxylic acid (PubChem CID 71463797) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 6-bromo-2-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-methyl-1H-indole-3-carboxylic acid
PubChem CID71463797
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name6-bromo-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2cc(Br)ccc2c1C(=O)O
InChIInChI=1S/C10H8BrNO2/c1-5-9(10(13)14)7-3-2-6(11)4-8(7)12-5/h2-4,12H,1H3,(H,13,14)
InChIKeyLIWQAXXJLJKBKP-UHFFFAOYSA-N
XLogP2.94
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 6-bromo-2-methyl-1H-indole-3-carboxylic acid (CID 71463797) is 6-bromo-2-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-methyl-1H-indole-3-carboxylic acid is Cc1[nH]c2cc(Br)ccc2c1C(=O)O.
What is the InChIKey of 6-bromo-2-methyl-1H-indole-3-carboxylic acid?
The InChIKey is LIWQAXXJLJKBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-5-9(10(13)14)7-3-2-6(11)4-8(7)12-5/h2-4,12H,1H3,(H,13,14).
What are the key properties of 6-bromo-2-methyl-1H-indole-3-carboxylic acid?
6-bromo-2-methyl-1H-indole-3-carboxylic acid has a molecular weight of 254.08 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71463797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).