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

C8H4BrClFN — CID 130052193

IUPAC3-bromo-7-chloro-4-fluoro-1H-indole
SMILESFc1ccc(Cl)c2[nH]cc(Br)c12
InChIInChI=1S/C8H4BrClFN/c9-4-3-12-8-5(10)1-2-6(11)7(4)8/h1-3,12H
InChIKeyUXCGMYHWQVGWOS-UHFFFAOYSA-N
MW248.48 g/mol
LogP3.72
Rot. Bonds

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

3-bromo-7-chloro-4-fluoro-1H-indole (PubChem CID 130052193) has the molecular formula C8H4BrClFN and a molecular weight of 248.48 g/mol. Its IUPAC name is 3-bromo-7-chloro-4-fluoro-1H-indole.

Molecular Properties

Compound Name3-bromo-7-chloro-4-fluoro-1H-indole
PubChem CID130052193
Molecular FormulaC8H4BrClFN
Molecular Weight248.48 g/mol
Exact Mass246.92
IUPAC Name3-bromo-7-chloro-4-fluoro-1H-indole
SMILESFc1ccc(Cl)c2[nH]cc(Br)c12
InChIInChI=1S/C8H4BrClFN/c9-4-3-12-8-5(10)1-2-6(11)7(4)8/h1-3,12H
InChIKeyUXCGMYHWQVGWOS-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

3,4-dibromo-7-chloro-1H-indole
CID 178073407
3,5-dibromo-8-chloro-1H-quinolin-4-one
CID 114759466
3-bromo-8-chloro-5-methyl-1H-quinolin-4-one
CID 107627876
7-bromo-4-chloro-3-methyl-1H-indole
CID 69463982
3-bromo-7-chloro-1H-indole
CID 2763282
7-chloro-3-methyl-1H-indol-4-ol
CID 131972082
11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
CID 96624013
4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde
CID 118833060
2-bromo-1,3-dichloro-4-fluorobenzene
CID 19779824
(7-chloro-4-methyl-1H-indol-3-yl) thiohypofluorite
CID 143230961
3-bromo-5-chloro-6-fluoro-1H-indole
CID 84706657
4,7-dichloro-1H-indole-3-sulfonyl chloride
CID 82374063

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-4-fluoro-1H-indole?
The IUPAC name of 3-bromo-7-chloro-4-fluoro-1H-indole (CID 130052193) is 3-bromo-7-chloro-4-fluoro-1H-indole.
What is the SMILES notation for 3-bromo-7-chloro-4-fluoro-1H-indole?
The canonical SMILES for 3-bromo-7-chloro-4-fluoro-1H-indole is Fc1ccc(Cl)c2[nH]cc(Br)c12.
What is the InChIKey of 3-bromo-7-chloro-4-fluoro-1H-indole?
The InChIKey is UXCGMYHWQVGWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClFN/c9-4-3-12-8-5(10)1-2-6(11)7(4)8/h1-3,12H.
What are the key properties of 3-bromo-7-chloro-4-fluoro-1H-indole?
3-bromo-7-chloro-4-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 3-bromo-7-chloro-4-fluoro-1H-indole is sourced from PubChem (CID 130052193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).