6-bromo-7-fluoro-2H-indole

C8H5BrFN — CID 126421810

IUPAC6-bromo-7-fluoro-2H-indole
SMILESFc1c(Br)ccc2c1=NCC=2
InChIInChI=1S/C8H5BrFN/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-3H,4H2
InChIKeyWSGAJCSPSGMURW-UHFFFAOYSA-N
MW214.04 g/mol
LogP1.00
Rot. Bonds

About 6-bromo-7-fluoro-2H-indole

6-bromo-7-fluoro-2H-indole (PubChem CID 126421810) has the molecular formula C8H5BrFN and a molecular weight of 214.04 g/mol. Its IUPAC name is 6-bromo-7-fluoro-2H-indole.

Molecular Properties

Compound Name6-bromo-7-fluoro-2H-indole
PubChem CID126421810
Molecular FormulaC8H5BrFN
Molecular Weight214.04 g/mol
Exact Mass212.96
IUPAC Name6-bromo-7-fluoro-2H-indole
SMILESFc1c(Br)ccc2c1=NCC=2
InChIInChI=1S/C8H5BrFN/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-3H,4H2
InChIKeyWSGAJCSPSGMURW-UHFFFAOYSA-N
XLogP1.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-2H-indole?
The IUPAC name of 6-bromo-7-fluoro-2H-indole (CID 126421810) is 6-bromo-7-fluoro-2H-indole.
What is the SMILES notation for 6-bromo-7-fluoro-2H-indole?
The canonical SMILES for 6-bromo-7-fluoro-2H-indole is Fc1c(Br)ccc2c1=NCC=2.
What is the InChIKey of 6-bromo-7-fluoro-2H-indole?
The InChIKey is WSGAJCSPSGMURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-3H,4H2.
What are the key properties of 6-bromo-7-fluoro-2H-indole?
6-bromo-7-fluoro-2H-indole has a molecular weight of 214.04 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-2H-indole is sourced from PubChem (CID 126421810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).