3-bromo-6-chloro-2-cyclopropyl-1H-indole

C11H9BrClN — CID 82379195

IUPAC3-bromo-6-chloro-2-cyclopropyl-1H-indole
SMILESClc1ccc2c(Br)c(C3CC3)[nH]c2c1
InChIInChI=1S/C11H9BrClN/c12-10-8-4-3-7(13)5-9(8)14-11(10)6-1-2-6/h3-6,14H,1-2H2
InChIKeyXSJWRCCYVIZVRI-UHFFFAOYSA-N
MW270.56 g/mol
LogP4.46
Rot. Bonds1

About 3-bromo-6-chloro-2-cyclopropyl-1H-indole

3-bromo-6-chloro-2-cyclopropyl-1H-indole (PubChem CID 82379195) has the molecular formula C11H9BrClN and a molecular weight of 270.56 g/mol. Its IUPAC name is 3-bromo-6-chloro-2-cyclopropyl-1H-indole.

Molecular Properties

Compound Name3-bromo-6-chloro-2-cyclopropyl-1H-indole
PubChem CID82379195
Molecular FormulaC11H9BrClN
Molecular Weight270.56 g/mol
Exact Mass268.96
IUPAC Name3-bromo-6-chloro-2-cyclopropyl-1H-indole
SMILESClc1ccc2c(Br)c(C3CC3)[nH]c2c1
InChIInChI=1S/C11H9BrClN/c12-10-8-4-3-7(13)5-9(8)14-11(10)6-1-2-6/h3-6,14H,1-2H2
InChIKeyXSJWRCCYVIZVRI-UHFFFAOYSA-N
XLogP4.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole
CID 82379901
2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 84628008
2-bromo-3,7-dichloro-1H-quinolin-4-one
CID 174901251
N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine
CID 84644665
7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740349
7-chloro-3-cyclohexyl-4-hydroxy-1H-quinolin-2-one
CID 54737097
2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine
CID 84624306
7-chloro-1,2,3,4-tetradeuterio-9H-carbazole
CID 170651952
6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
CID 101005801
3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
CID 84642527
3-bromo-2-cyclopropyl-4-methyl-1H-indole
CID 82382883

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-2-cyclopropyl-1H-indole?
The IUPAC name of 3-bromo-6-chloro-2-cyclopropyl-1H-indole (CID 82379195) is 3-bromo-6-chloro-2-cyclopropyl-1H-indole.
What is the SMILES notation for 3-bromo-6-chloro-2-cyclopropyl-1H-indole?
The canonical SMILES for 3-bromo-6-chloro-2-cyclopropyl-1H-indole is Clc1ccc2c(Br)c(C3CC3)[nH]c2c1.
What is the InChIKey of 3-bromo-6-chloro-2-cyclopropyl-1H-indole?
The InChIKey is XSJWRCCYVIZVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN/c12-10-8-4-3-7(13)5-9(8)14-11(10)6-1-2-6/h3-6,14H,1-2H2.
What are the key properties of 3-bromo-6-chloro-2-cyclopropyl-1H-indole?
3-bromo-6-chloro-2-cyclopropyl-1H-indole has a molecular weight of 270.56 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-2-cyclopropyl-1H-indole is sourced from PubChem (CID 82379195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).