6-bromo-1,3-dihydroindol-2-one

C8H6BrNO — CID 2773289

IUPAC6-bromo-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Br)cc2N1
InChIInChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKeyJARRYVQFBQVOBE-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.94
Rot. Bonds

About 6-bromo-1,3-dihydroindol-2-one

6-bromo-1,3-dihydroindol-2-one (PubChem CID 2773289) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 6-bromo-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-1,3-dihydroindol-2-one
PubChem CID2773289
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name6-bromo-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Br)cc2N1
InChIInChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKeyJARRYVQFBQVOBE-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-1,3-dihydroindol-2-one (CID 2773289) is 6-bromo-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-1,3-dihydroindol-2-one is O=C1Cc2ccc(Br)cc2N1.
What is the InChIKey of 6-bromo-1,3-dihydroindol-2-one?
The InChIKey is JARRYVQFBQVOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11).
What are the key properties of 6-bromo-1,3-dihydroindol-2-one?
6-bromo-1,3-dihydroindol-2-one has a molecular weight of 212.05 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dihydroindol-2-one is sourced from PubChem (CID 2773289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).