5-bromo-3-pyridin-3-ylimino-1H-indol-2-one

C13H8BrN3O — CID 135432053

IUPAC5-bromo-3-pyridin-3-ylimino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1cccnc1
InChIInChI=1S/C13H8BrN3O/c14-8-3-4-11-10(6-8)12(13(18)17-11)16-9-2-1-5-15-7-9/h1-7H,(H,16,17,18)
InChIKeyGDPLLJMLTUBHPH-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.92
Rot. Bonds1

About 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one

5-bromo-3-pyridin-3-ylimino-1H-indol-2-one (PubChem CID 135432053) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-pyridin-3-ylimino-1H-indol-2-one
PubChem CID135432053
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name5-bromo-3-pyridin-3-ylimino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1cccnc1
InChIInChI=1S/C13H8BrN3O/c14-8-3-4-11-10(6-8)12(13(18)17-11)16-9-2-1-5-15-7-9/h1-7H,(H,16,17,18)
InChIKeyGDPLLJMLTUBHPH-UHFFFAOYSA-N
XLogP2.92
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one?
The IUPAC name of 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one (CID 135432053) is 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=N/c1cccnc1.
What is the InChIKey of 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one?
The InChIKey is GDPLLJMLTUBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-8-3-4-11-10(6-8)12(13(18)17-11)16-9-2-1-5-15-7-9/h1-7H,(H,16,17,18).
What are the key properties of 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one?
5-bromo-3-pyridin-3-ylimino-1H-indol-2-one has a molecular weight of 302.13 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-pyridin-3-ylimino-1H-indol-2-one is sourced from PubChem (CID 135432053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).