7-bromo-4-chloro-1H-indole

C8H5BrClN — CID 18752873

IUPAC7-bromo-4-chloro-1H-indole
SMILESClc1ccc(Br)c2[nH]ccc12
InChIInChI=1S/C8H5BrClN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H
InChIKeyZFBAFEMIPJPWPF-UHFFFAOYSA-N
MW230.49 g/mol
LogP3.58
Rot. Bonds

About 7-bromo-4-chloro-1H-indole

7-bromo-4-chloro-1H-indole (PubChem CID 18752873) has the molecular formula C8H5BrClN and a molecular weight of 230.49 g/mol. Its IUPAC name is 7-bromo-4-chloro-1H-indole.

Molecular Properties

Compound Name7-bromo-4-chloro-1H-indole
PubChem CID18752873
Molecular FormulaC8H5BrClN
Molecular Weight230.49 g/mol
Exact Mass228.93
IUPAC Name7-bromo-4-chloro-1H-indole
SMILESClc1ccc(Br)c2[nH]ccc12
InChIInChI=1S/C8H5BrClN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H
InChIKeyZFBAFEMIPJPWPF-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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Related Compounds

5-Bromoindole
CID 24905
5-Bromotryptamine
CID 77158
5-Chloroindole
CID 87110
6-Bromoindole
CID 676493
6-Chloroindole
CID 87111
4-Chloroindole
CID 91345
4-Bromoindole
CID 676494
7-Bromoindole
CID 2757020
3-Chloro-1H-indole
CID 177790
3-Bromo-1h-indole
CID 2763277
6-bromo-3-chloro-1H-indole
CID 12269921
5-Bromo-3-methyl-1H-indole
CID 254707

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-1H-indole?
The IUPAC name of 7-bromo-4-chloro-1H-indole (CID 18752873) is 7-bromo-4-chloro-1H-indole.
What is the SMILES notation for 7-bromo-4-chloro-1H-indole?
The canonical SMILES for 7-bromo-4-chloro-1H-indole is Clc1ccc(Br)c2[nH]ccc12.
What is the InChIKey of 7-bromo-4-chloro-1H-indole?
The InChIKey is ZFBAFEMIPJPWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H.
What are the key properties of 7-bromo-4-chloro-1H-indole?
7-bromo-4-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 7-bromo-4-chloro-1H-indole is sourced from PubChem (CID 18752873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).