7-bromo-3-iodo-1-(2-methylpropyl)indole

C12H13BrIN — CID 155906761

IUPAC7-bromo-3-iodo-1-(2-methylpropyl)indole
SMILESCC(C)Cn1cc(I)c2cccc(Br)c21
InChIInChI=1S/C12H13BrIN/c1-8(2)6-15-7-11(14)9-4-3-5-10(13)12(9)15/h3-5,7-8H,6H2,1-2H3
InChIKeyAEHAKHAFZUZIQE-UHFFFAOYSA-N
MW378.05 g/mol
LogP4.66
Rot. Bonds2

About 7-bromo-3-iodo-1-(2-methylpropyl)indole

7-bromo-3-iodo-1-(2-methylpropyl)indole (PubChem CID 155906761) has the molecular formula C12H13BrIN and a molecular weight of 378.05 g/mol. Its IUPAC name is 7-bromo-3-iodo-1-(2-methylpropyl)indole.

Molecular Properties

Compound Name7-bromo-3-iodo-1-(2-methylpropyl)indole
PubChem CID155906761
Molecular FormulaC12H13BrIN
Molecular Weight378.05 g/mol
Exact Mass376.93
IUPAC Name7-bromo-3-iodo-1-(2-methylpropyl)indole
SMILESCC(C)Cn1cc(I)c2cccc(Br)c21
InChIInChI=1S/C12H13BrIN/c1-8(2)6-15-7-11(14)9-4-3-5-10(13)12(9)15/h3-5,7-8H,6H2,1-2H3
InChIKeyAEHAKHAFZUZIQE-UHFFFAOYSA-N
XLogP4.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.05
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-Methylindole
CID 11781
(R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine
CID 10753358
5-Bromo-N,N-Dimethyltryptamine
CID 360252
1-Benzyl-5-Bromo-1H-Indole
CID 285756
5-Bromo-1-methyl-1H-indole
CID 285757
7-Bromoindole
CID 2757020
3-(7-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentanamine
CID 10447912
1-(3-methylbutyl)-1H-indole
CID 12281266
6-Bromo-1-methyl-1H-indole
CID 15546854
5-Bromo-3-methyl-1H-indole
CID 254707
7-Bromo-5-methyl-1H-indole
CID 3403330
3-iodo-1-methyl-1H-indole
CID 12839093

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-iodo-1-(2-methylpropyl)indole?
The IUPAC name of 7-bromo-3-iodo-1-(2-methylpropyl)indole (CID 155906761) is 7-bromo-3-iodo-1-(2-methylpropyl)indole.
What is the SMILES notation for 7-bromo-3-iodo-1-(2-methylpropyl)indole?
The canonical SMILES for 7-bromo-3-iodo-1-(2-methylpropyl)indole is CC(C)Cn1cc(I)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-3-iodo-1-(2-methylpropyl)indole?
The InChIKey is AEHAKHAFZUZIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrIN/c1-8(2)6-15-7-11(14)9-4-3-5-10(13)12(9)15/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 7-bromo-3-iodo-1-(2-methylpropyl)indole?
7-bromo-3-iodo-1-(2-methylpropyl)indole has a molecular weight of 378.05 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-iodo-1-(2-methylpropyl)indole is sourced from PubChem (CID 155906761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).