3,7-dibromo-1-ethyl-5-methylindole

C11H11Br2N — CID 90146694

IUPAC3,7-dibromo-1-ethyl-5-methylindole
SMILESCCn1cc(Br)c2cc(C)cc(Br)c21
InChIInChI=1S/C11H11Br2N/c1-3-14-6-10(13)8-4-7(2)5-9(12)11(8)14/h4-6H,3H2,1-2H3
InChIKeyHFVXXNBXTHWKBW-UHFFFAOYSA-N
MW317.02 g/mol
LogP4.49
Rot. Bonds1

About 3,7-dibromo-1-ethyl-5-methylindole

3,7-dibromo-1-ethyl-5-methylindole (PubChem CID 90146694) has the molecular formula C11H11Br2N and a molecular weight of 317.02 g/mol. Its IUPAC name is 3,7-dibromo-1-ethyl-5-methylindole.

Molecular Properties

Compound Name3,7-dibromo-1-ethyl-5-methylindole
PubChem CID90146694
Molecular FormulaC11H11Br2N
Molecular Weight317.02 g/mol
Exact Mass314.93
IUPAC Name3,7-dibromo-1-ethyl-5-methylindole
SMILESCCn1cc(Br)c2cc(C)cc(Br)c21
InChIInChI=1S/C11H11Br2N/c1-3-14-6-10(13)8-4-7(2)5-9(12)11(8)14/h4-6H,3H2,1-2H3
InChIKeyHFVXXNBXTHWKBW-UHFFFAOYSA-N
XLogP4.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.02
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-1-ethyl-5-methylindole?
The IUPAC name of 3,7-dibromo-1-ethyl-5-methylindole (CID 90146694) is 3,7-dibromo-1-ethyl-5-methylindole.
What is the SMILES notation for 3,7-dibromo-1-ethyl-5-methylindole?
The canonical SMILES for 3,7-dibromo-1-ethyl-5-methylindole is CCn1cc(Br)c2cc(C)cc(Br)c21.
What is the InChIKey of 3,7-dibromo-1-ethyl-5-methylindole?
The InChIKey is HFVXXNBXTHWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N/c1-3-14-6-10(13)8-4-7(2)5-9(12)11(8)14/h4-6H,3H2,1-2H3.
What are the key properties of 3,7-dibromo-1-ethyl-5-methylindole?
3,7-dibromo-1-ethyl-5-methylindole has a molecular weight of 317.02 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-1-ethyl-5-methylindole is sourced from PubChem (CID 90146694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).