7-bromo-3-tert-butyl-1H-indole

C12H14BrN — CID 106985255

IUPAC7-bromo-3-tert-butyl-1H-indole
SMILESCC(C)(C)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C12H14BrN/c1-12(2,3)9-7-14-11-8(9)5-4-6-10(11)13/h4-7,14H,1-3H3
InChIKeyZUOKRRHELYMNFR-UHFFFAOYSA-N
MW252.16 g/mol
LogP4.23
Rot. Bonds

About 7-bromo-3-tert-butyl-1H-indole

7-bromo-3-tert-butyl-1H-indole (PubChem CID 106985255) has the molecular formula C12H14BrN and a molecular weight of 252.16 g/mol. Its IUPAC name is 7-bromo-3-tert-butyl-1H-indole.

Molecular Properties

Compound Name7-bromo-3-tert-butyl-1H-indole
PubChem CID106985255
Molecular FormulaC12H14BrN
Molecular Weight252.16 g/mol
Exact Mass251.03
IUPAC Name7-bromo-3-tert-butyl-1H-indole
SMILESCC(C)(C)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C12H14BrN/c1-12(2,3)9-7-14-11-8(9)5-4-6-10(11)13/h4-7,14H,1-3H3
InChIKeyZUOKRRHELYMNFR-UHFFFAOYSA-N
XLogP4.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(7-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 82502243
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
8-bromo-3-methyl-1H-quinolin-4-one;ethane
CID 144929790
7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole
CID 106985296
2-(7-bromo-1H-indol-3-yl)propan-1-amine
CID 76846624
7-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 117182045
7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole
CID 175467087
7-bromo-1H-indole-3-carbothioamide
CID 171775732
7-bromo-3-pentan-2-yl-1H-indole
CID 106985623
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
7-bromo-3-(4-methylcyclohexyl)-1H-indole
CID 106985061

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-tert-butyl-1H-indole?
The IUPAC name of 7-bromo-3-tert-butyl-1H-indole (CID 106985255) is 7-bromo-3-tert-butyl-1H-indole.
What is the SMILES notation for 7-bromo-3-tert-butyl-1H-indole?
The canonical SMILES for 7-bromo-3-tert-butyl-1H-indole is CC(C)(C)c1c[nH]c2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-tert-butyl-1H-indole?
The InChIKey is ZUOKRRHELYMNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-12(2,3)9-7-14-11-8(9)5-4-6-10(11)13/h4-7,14H,1-3H3.
What are the key properties of 7-bromo-3-tert-butyl-1H-indole?
7-bromo-3-tert-butyl-1H-indole has a molecular weight of 252.16 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-tert-butyl-1H-indole is sourced from PubChem (CID 106985255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).