5-bromo-4-chloro-3-methyl-1H-indole

C9H7BrClN — CID 58220952

IUPAC5-bromo-4-chloro-3-methyl-1H-indole
SMILESCc1c[nH]c2ccc(Br)c(Cl)c12
InChIInChI=1S/C9H7BrClN/c1-5-4-12-7-3-2-6(10)9(11)8(5)7/h2-4,12H,1H3
InChIKeyDUKGVAGTAPBKKJ-UHFFFAOYSA-N
MW244.52 g/mol
LogP3.89
Rot. Bonds

About 5-bromo-4-chloro-3-methyl-1H-indole

5-bromo-4-chloro-3-methyl-1H-indole (PubChem CID 58220952) has the molecular formula C9H7BrClN and a molecular weight of 244.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-3-methyl-1H-indole.

Molecular Properties

Compound Name5-bromo-4-chloro-3-methyl-1H-indole
PubChem CID58220952
Molecular FormulaC9H7BrClN
Molecular Weight244.52 g/mol
Exact Mass242.95
IUPAC Name5-bromo-4-chloro-3-methyl-1H-indole
SMILESCc1c[nH]c2ccc(Br)c(Cl)c12
InChIInChI=1S/C9H7BrClN/c1-5-4-12-7-3-2-6(10)9(11)8(5)7/h2-4,12H,1H3
InChIKeyDUKGVAGTAPBKKJ-UHFFFAOYSA-N
XLogP3.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-3-methyl-1H-indole?
The IUPAC name of 5-bromo-4-chloro-3-methyl-1H-indole (CID 58220952) is 5-bromo-4-chloro-3-methyl-1H-indole.
What is the SMILES notation for 5-bromo-4-chloro-3-methyl-1H-indole?
The canonical SMILES for 5-bromo-4-chloro-3-methyl-1H-indole is Cc1c[nH]c2ccc(Br)c(Cl)c12.
What is the InChIKey of 5-bromo-4-chloro-3-methyl-1H-indole?
The InChIKey is DUKGVAGTAPBKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN/c1-5-4-12-7-3-2-6(10)9(11)8(5)7/h2-4,12H,1H3.
What are the key properties of 5-bromo-4-chloro-3-methyl-1H-indole?
5-bromo-4-chloro-3-methyl-1H-indole has a molecular weight of 244.52 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-3-methyl-1H-indole is sourced from PubChem (CID 58220952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).