3-bromo-4,6-difluoroindol-2-one

C8H2BrF2NO — CID 174871745

IUPAC3-bromo-4,6-difluoroindol-2-one
SMILESO=C1N=c2cc(F)cc(F)c2=C1Br
InChIInChI=1S/C8H2BrF2NO/c9-7-6-4(11)1-3(10)2-5(6)12-8(7)13/h1-2H
InChIKeyOSYDKVOFDRXVBW-UHFFFAOYSA-N
MW246.01 g/mol
LogP0.63
Rot. Bonds

About 3-bromo-4,6-difluoroindol-2-one

3-bromo-4,6-difluoroindol-2-one (PubChem CID 174871745) has the molecular formula C8H2BrF2NO and a molecular weight of 246.01 g/mol. Its IUPAC name is 3-bromo-4,6-difluoroindol-2-one.

Molecular Properties

Compound Name3-bromo-4,6-difluoroindol-2-one
PubChem CID174871745
Molecular FormulaC8H2BrF2NO
Molecular Weight246.01 g/mol
Exact Mass244.93
IUPAC Name3-bromo-4,6-difluoroindol-2-one
SMILESO=C1N=c2cc(F)cc(F)c2=C1Br
InChIInChI=1S/C8H2BrF2NO/c9-7-6-4(11)1-3(10)2-5(6)12-8(7)13/h1-2H
InChIKeyOSYDKVOFDRXVBW-UHFFFAOYSA-N
XLogP0.63
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.01
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,6-difluoroindol-2-one?
The IUPAC name of 3-bromo-4,6-difluoroindol-2-one (CID 174871745) is 3-bromo-4,6-difluoroindol-2-one.
What is the SMILES notation for 3-bromo-4,6-difluoroindol-2-one?
The canonical SMILES for 3-bromo-4,6-difluoroindol-2-one is O=C1N=c2cc(F)cc(F)c2=C1Br.
What is the InChIKey of 3-bromo-4,6-difluoroindol-2-one?
The InChIKey is OSYDKVOFDRXVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF2NO/c9-7-6-4(11)1-3(10)2-5(6)12-8(7)13/h1-2H.
What are the key properties of 3-bromo-4,6-difluoroindol-2-one?
3-bromo-4,6-difluoroindol-2-one has a molecular weight of 246.01 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,6-difluoroindol-2-one is sourced from PubChem (CID 174871745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).