6-bromo-1-ethylindole;6-bromo-1H-indole

C18H16Br2N2 — CID 158373742

IUPAC6-bromo-1-ethylindole;6-bromo-1H-indole
SMILESBrc1ccc2cc[nH]c2c1.CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C10H10BrN.C8H6BrN/c1-2-12-6-5-8-3-4-9(11)7-10(8)12;9-7-2-1-6-3-4-10-8(6)5-7/h3-7H,2H2,1H3;1-5,10H
InChIKeyGUYBCBMZXIRUHH-UHFFFAOYSA-N
MW420.15 g/mol
LogP6.35
Rot. Bonds1

About 6-bromo-1-ethylindole;6-bromo-1H-indole

6-bromo-1-ethylindole;6-bromo-1H-indole (PubChem CID 158373742) has the molecular formula C18H16Br2N2 and a molecular weight of 420.15 g/mol. Its IUPAC name is 6-bromo-1-ethylindole;6-bromo-1H-indole.

Molecular Properties

Compound Name6-bromo-1-ethylindole;6-bromo-1H-indole
PubChem CID158373742
Molecular FormulaC18H16Br2N2
Molecular Weight420.15 g/mol
Exact Mass417.97
IUPAC Name6-bromo-1-ethylindole;6-bromo-1H-indole
SMILESBrc1ccc2cc[nH]c2c1.CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C10H10BrN.C8H6BrN/c1-2-12-6-5-8-3-4-9(11)7-10(8)12;9-7-2-1-6-3-4-10-8(6)5-7/h3-7H,2H2,1H3;1-5,10H
InChIKeyGUYBCBMZXIRUHH-UHFFFAOYSA-N
XLogP6.35
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.15
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(1-Methylpyrrolidin-3-yl)-1H-indole
CID 19337
6-Bromoindole
CID 676493
6-Bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-1H-indole-3-ethanamine hydrochloride
CID 56675778
3-(6-bromo-1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5330709

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethylindole;6-bromo-1H-indole?
The IUPAC name of 6-bromo-1-ethylindole;6-bromo-1H-indole (CID 158373742) is 6-bromo-1-ethylindole;6-bromo-1H-indole.
What is the SMILES notation for 6-bromo-1-ethylindole;6-bromo-1H-indole?
The canonical SMILES for 6-bromo-1-ethylindole;6-bromo-1H-indole is Brc1ccc2cc[nH]c2c1.CCn1ccc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-ethylindole;6-bromo-1H-indole?
The InChIKey is GUYBCBMZXIRUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN.C8H6BrN/c1-2-12-6-5-8-3-4-9(11)7-10(8)12;9-7-2-1-6-3-4-10-8(6)5-7/h3-7H,2H2,1H3;1-5,10H.
What are the key properties of 6-bromo-1-ethylindole;6-bromo-1H-indole?
6-bromo-1-ethylindole;6-bromo-1H-indole has a molecular weight of 420.15 g/mol, XLogP of 6.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethylindole;6-bromo-1H-indole is sourced from PubChem (CID 158373742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).