5-bromo-1-fluoro-3H-indol-2-one

C8H5BrFNO — CID 172801584

IUPAC5-bromo-1-fluoro-3H-indol-2-one
SMILESO=C1Cc2cc(Br)ccc2N1F
InChIInChI=1S/C8H5BrFNO/c9-6-1-2-7-5(3-6)4-8(12)11(7)10/h1-3H,4H2
InChIKeyQYBHRKNXABHZDF-UHFFFAOYSA-N
MW230.04 g/mol
LogP2.22
Rot. Bonds

About 5-bromo-1-fluoro-3H-indol-2-one

5-bromo-1-fluoro-3H-indol-2-one (PubChem CID 172801584) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 5-bromo-1-fluoro-3H-indol-2-one.

Molecular Properties

Compound Name5-bromo-1-fluoro-3H-indol-2-one
PubChem CID172801584
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name5-bromo-1-fluoro-3H-indol-2-one
SMILESO=C1Cc2cc(Br)ccc2N1F
InChIInChI=1S/C8H5BrFNO/c9-6-1-2-7-5(3-6)4-8(12)11(7)10/h1-3H,4H2
InChIKeyQYBHRKNXABHZDF-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-fluoro-3H-indol-2-one?
The IUPAC name of 5-bromo-1-fluoro-3H-indol-2-one (CID 172801584) is 5-bromo-1-fluoro-3H-indol-2-one.
What is the SMILES notation for 5-bromo-1-fluoro-3H-indol-2-one?
The canonical SMILES for 5-bromo-1-fluoro-3H-indol-2-one is O=C1Cc2cc(Br)ccc2N1F.
What is the InChIKey of 5-bromo-1-fluoro-3H-indol-2-one?
The InChIKey is QYBHRKNXABHZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-6-1-2-7-5(3-6)4-8(12)11(7)10/h1-3H,4H2.
What are the key properties of 5-bromo-1-fluoro-3H-indol-2-one?
5-bromo-1-fluoro-3H-indol-2-one has a molecular weight of 230.04 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-fluoro-3H-indol-2-one is sourced from PubChem (CID 172801584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).