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

C8H5BrFN — CID 66817286

IUPAC4-bromo-3-fluoro-1H-indole
SMILESFc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C8H5BrFN/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4,11H
InChIKeyZOFFOMXCMHIBOI-UHFFFAOYSA-N
MW214.04 g/mol
LogP3.07
Rot. Bonds

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

4-bromo-3-fluoro-1H-indole (PubChem CID 66817286) has the molecular formula C8H5BrFN and a molecular weight of 214.04 g/mol. Its IUPAC name is 4-bromo-3-fluoro-1H-indole.

Molecular Properties

Compound Name4-bromo-3-fluoro-1H-indole
PubChem CID66817286
Molecular FormulaC8H5BrFN
Molecular Weight214.04 g/mol
Exact Mass212.96
IUPAC Name4-bromo-3-fluoro-1H-indole
SMILESFc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C8H5BrFN/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4,11H
InChIKeyZOFFOMXCMHIBOI-UHFFFAOYSA-N
XLogP3.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-difluoro-1H-indole
CID 90939330
4-bromo-3-methyl-1H-indole
CID 52987704
4-bromo-3-methylsulfanyl-1H-indole
CID 152778535
3-fluoro-4-methoxy-1H-indole
CID 162696038
2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine
CID 137262829
2-(4-bromo-1H-indol-3-yl)acetaldehyde
CID 117194859
1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone
CID 115351551
4-fluoro-1H-indol-3-amine
CID 82417499
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
(3E)-4-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028255

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-1H-indole?
The IUPAC name of 4-bromo-3-fluoro-1H-indole (CID 66817286) is 4-bromo-3-fluoro-1H-indole.
What is the SMILES notation for 4-bromo-3-fluoro-1H-indole?
The canonical SMILES for 4-bromo-3-fluoro-1H-indole is Fc1c[nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-fluoro-1H-indole?
The InChIKey is ZOFFOMXCMHIBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-4,11H.
What are the key properties of 4-bromo-3-fluoro-1H-indole?
4-bromo-3-fluoro-1H-indole has a molecular weight of 214.04 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-1H-indole is sourced from PubChem (CID 66817286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).