5-bromo-7-chloro-1H-indole

C8H5BrClN — CID 10728194

IUPAC5-bromo-7-chloro-1H-indole
SMILESClc1cc(Br)cc2cc[nH]c12
InChIInChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKeyNBSOYBSYOOJMPE-UHFFFAOYSA-N
MW230.49 g/mol
LogP3.58
Rot. Bonds

About 5-bromo-7-chloro-1H-indole

5-bromo-7-chloro-1H-indole (PubChem CID 10728194) has the molecular formula C8H5BrClN and a molecular weight of 230.49 g/mol. Its IUPAC name is 5-bromo-7-chloro-1H-indole.

Molecular Properties

Compound Name5-bromo-7-chloro-1H-indole
PubChem CID10728194
Molecular FormulaC8H5BrClN
Molecular Weight230.49 g/mol
Exact Mass228.93
IUPAC Name5-bromo-7-chloro-1H-indole
SMILESClc1cc(Br)cc2cc[nH]c12
InChIInChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKeyNBSOYBSYOOJMPE-UHFFFAOYSA-N
XLogP3.58
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-1H-indole?
The IUPAC name of 5-bromo-7-chloro-1H-indole (CID 10728194) is 5-bromo-7-chloro-1H-indole.
What is the SMILES notation for 5-bromo-7-chloro-1H-indole?
The canonical SMILES for 5-bromo-7-chloro-1H-indole is Clc1cc(Br)cc2cc[nH]c12.
What is the InChIKey of 5-bromo-7-chloro-1H-indole?
The InChIKey is NBSOYBSYOOJMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H.
What are the key properties of 5-bromo-7-chloro-1H-indole?
5-bromo-7-chloro-1H-indole has a molecular weight of 230.49 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-1H-indole is sourced from PubChem (CID 10728194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).