2,7-dibromo-1-ethyl-3-methylindole

C11H11Br2N — CID 117127877

IUPAC2,7-dibromo-1-ethyl-3-methylindole
SMILESCCn1c(Br)c(C)c2cccc(Br)c21
InChIInChI=1S/C11H11Br2N/c1-3-14-10-8(7(2)11(14)13)5-4-6-9(10)12/h4-6H,3H2,1-2H3
InChIKeyWWJPUBMXNWRNLH-UHFFFAOYSA-N
MW317.02 g/mol
LogP4.49
Rot. Bonds1

About 2,7-dibromo-1-ethyl-3-methylindole

2,7-dibromo-1-ethyl-3-methylindole (PubChem CID 117127877) has the molecular formula C11H11Br2N and a molecular weight of 317.02 g/mol. Its IUPAC name is 2,7-dibromo-1-ethyl-3-methylindole.

Molecular Properties

Compound Name2,7-dibromo-1-ethyl-3-methylindole
PubChem CID117127877
Molecular FormulaC11H11Br2N
Molecular Weight317.02 g/mol
Exact Mass314.93
IUPAC Name2,7-dibromo-1-ethyl-3-methylindole
SMILESCCn1c(Br)c(C)c2cccc(Br)c21
InChIInChI=1S/C11H11Br2N/c1-3-14-10-8(7(2)11(14)13)5-4-6-9(10)12/h4-6H,3H2,1-2H3
InChIKeyWWJPUBMXNWRNLH-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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Related Compounds

1-bromo-9-ethylcarbazole
CID 19736997
3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
1-bromo-9-propylcarbazole
CID 141387102
1-(7-bromo-1-ethylindol-3-yl)propan-2-one
CID 117197654
7-bromo-1-ethyl-3-(methylsulfonylmethyl)indole
CID 117182373
2-bromo-1,3-dimethylindol-7-ol
CID 117127883
7-bromo-1-ethyl-3-(propan-2-ylsulfanylmethyl)indole
CID 117182552
7-bromo-1-ethylbenzimidazol-2-amine
CID 84800337
1-bromo-9-heptadecylcarbazole
CID 174836685
2-bromo-3,7-dimethyl-1-propan-2-ylindole
CID 117127858
7-bromo-3-ethyl-1-methylindazole
CID 59778768
4-bromo-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173791

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-1-ethyl-3-methylindole?
The IUPAC name of 2,7-dibromo-1-ethyl-3-methylindole (CID 117127877) is 2,7-dibromo-1-ethyl-3-methylindole.
What is the SMILES notation for 2,7-dibromo-1-ethyl-3-methylindole?
The canonical SMILES for 2,7-dibromo-1-ethyl-3-methylindole is CCn1c(Br)c(C)c2cccc(Br)c21.
What is the InChIKey of 2,7-dibromo-1-ethyl-3-methylindole?
The InChIKey is WWJPUBMXNWRNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N/c1-3-14-10-8(7(2)11(14)13)5-4-6-9(10)12/h4-6H,3H2,1-2H3.
What are the key properties of 2,7-dibromo-1-ethyl-3-methylindole?
2,7-dibromo-1-ethyl-3-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 2,7-dibromo-1-ethyl-3-methylindole is sourced from PubChem (CID 117127877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).