5,6-dibromo-2-methyl-1H-indole

C9H7Br2N — CID 130290572

IUPAC5,6-dibromo-2-methyl-1H-indole
SMILESCc1cc2cc(Br)c(Br)cc2[nH]1
InChIInChI=1S/C9H7Br2N/c1-5-2-6-3-7(10)8(11)4-9(6)12-5/h2-4,12H,1H3
InChIKeyHYVSEPGOECBXJF-UHFFFAOYSA-N
MW288.97 g/mol
LogP4.00
Rot. Bonds

About 5,6-dibromo-2-methyl-1H-indole

5,6-dibromo-2-methyl-1H-indole (PubChem CID 130290572) has the molecular formula C9H7Br2N and a molecular weight of 288.97 g/mol. Its IUPAC name is 5,6-dibromo-2-methyl-1H-indole.

Molecular Properties

Compound Name5,6-dibromo-2-methyl-1H-indole
PubChem CID130290572
Molecular FormulaC9H7Br2N
Molecular Weight288.97 g/mol
Exact Mass286.89
IUPAC Name5,6-dibromo-2-methyl-1H-indole
SMILESCc1cc2cc(Br)c(Br)cc2[nH]1
InChIInChI=1S/C9H7Br2N/c1-5-2-6-3-7(10)8(11)4-9(6)12-5/h2-4,12H,1H3
InChIKeyHYVSEPGOECBXJF-UHFFFAOYSA-N
XLogP4.00
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-2-methyl-1H-indole?
The IUPAC name of 5,6-dibromo-2-methyl-1H-indole (CID 130290572) is 5,6-dibromo-2-methyl-1H-indole.
What is the SMILES notation for 5,6-dibromo-2-methyl-1H-indole?
The canonical SMILES for 5,6-dibromo-2-methyl-1H-indole is Cc1cc2cc(Br)c(Br)cc2[nH]1.
What is the InChIKey of 5,6-dibromo-2-methyl-1H-indole?
The InChIKey is HYVSEPGOECBXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N/c1-5-2-6-3-7(10)8(11)4-9(6)12-5/h2-4,12H,1H3.
What are the key properties of 5,6-dibromo-2-methyl-1H-indole?
5,6-dibromo-2-methyl-1H-indole has a molecular weight of 288.97 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-2-methyl-1H-indole is sourced from PubChem (CID 130290572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).