4-bromo-3-chloro-7-fluoro-1H-indole

C8H4BrClFN — CID 130052108

IUPAC4-bromo-3-chloro-7-fluoro-1H-indole
SMILESFc1ccc(Br)c2c(Cl)c[nH]c12
InChIInChI=1S/C8H4BrClFN/c9-4-1-2-6(11)8-7(4)5(10)3-12-8/h1-3,12H
InChIKeyPCQMVARIFZIVLE-UHFFFAOYSA-N
MW248.48 g/mol
LogP3.72
Rot. Bonds

About 4-bromo-3-chloro-7-fluoro-1H-indole

4-bromo-3-chloro-7-fluoro-1H-indole (PubChem CID 130052108) has the molecular formula C8H4BrClFN and a molecular weight of 248.48 g/mol. Its IUPAC name is 4-bromo-3-chloro-7-fluoro-1H-indole.

Molecular Properties

Compound Name4-bromo-3-chloro-7-fluoro-1H-indole
PubChem CID130052108
Molecular FormulaC8H4BrClFN
Molecular Weight248.48 g/mol
Exact Mass246.92
IUPAC Name4-bromo-3-chloro-7-fluoro-1H-indole
SMILESFc1ccc(Br)c2c(Cl)c[nH]c12
InChIInChI=1S/C8H4BrClFN/c9-4-1-2-6(11)8-7(4)5(10)3-12-8/h1-3,12H
InChIKeyPCQMVARIFZIVLE-UHFFFAOYSA-N
XLogP3.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

6-Bromoindole
CID 676493
4-Bromoindole
CID 676494
3-Chloro-1H-indole
CID 177790
3-Bromo-1h-indole
CID 2763277
6-bromo-3-chloro-1H-indole
CID 12269921
7-bromo-4-fluoro-1H-indole
CID 4342956
4-Bromo-3-methyl-1H-indole
CID 52987704
5-Bromo-6-chloro-1H-indole
CID 14419619
3,6-Dibromo-1h-indole
CID 21575357
7-chloro-6-fluoro-1H-indole
CID 18986231
6-Chloro-5-fluoro-1H-indole
CID 2773648
5-bromo-6-fluoro-1H-indole
CID 11687145

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-7-fluoro-1H-indole?
The IUPAC name of 4-bromo-3-chloro-7-fluoro-1H-indole (CID 130052108) is 4-bromo-3-chloro-7-fluoro-1H-indole.
What is the SMILES notation for 4-bromo-3-chloro-7-fluoro-1H-indole?
The canonical SMILES for 4-bromo-3-chloro-7-fluoro-1H-indole is Fc1ccc(Br)c2c(Cl)c[nH]c12.
What is the InChIKey of 4-bromo-3-chloro-7-fluoro-1H-indole?
The InChIKey is PCQMVARIFZIVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClFN/c9-4-1-2-6(11)8-7(4)5(10)3-12-8/h1-3,12H.
What are the key properties of 4-bromo-3-chloro-7-fluoro-1H-indole?
4-bromo-3-chloro-7-fluoro-1H-indole has a molecular weight of 248.48 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-7-fluoro-1H-indole is sourced from PubChem (CID 130052108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).