2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide

C11H9BrFN3O3 — CID 63582617

IUPAC2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C(=O)C(=O)c2cc(Br)c(F)cc21
InChIInChI=1S/C11H9BrFN3O3/c1-4(10(18)15-14)16-8-3-7(13)6(12)2-5(8)9(17)11(16)19/h2-4H,14H2,1H3,(H,15,18)
InChIKeyBEIXFOAMEBXAAM-UHFFFAOYSA-N
MW330.11 g/mol
LogP0.50
Rot. Bonds2

About 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide

2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide (PubChem CID 63582617) has the molecular formula C11H9BrFN3O3 and a molecular weight of 330.11 g/mol. Its IUPAC name is 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide
PubChem CID63582617
Molecular FormulaC11H9BrFN3O3
Molecular Weight330.11 g/mol
Exact Mass328.98
IUPAC Name2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C(=O)C(=O)c2cc(Br)c(F)cc21
InChIInChI=1S/C11H9BrFN3O3/c1-4(10(18)15-14)16-8-3-7(13)6(12)2-5(8)9(17)11(16)19/h2-4H,14H2,1H3,(H,15,18)
InChIKeyBEIXFOAMEBXAAM-UHFFFAOYSA-N
XLogP0.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.11
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide?
The IUPAC name of 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide (CID 63582617) is 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide?
The canonical SMILES for 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide is CC(C(=O)NN)N1C(=O)C(=O)c2cc(Br)c(F)cc21.
What is the InChIKey of 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide?
The InChIKey is BEIXFOAMEBXAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O3/c1-4(10(18)15-14)16-8-3-7(13)6(12)2-5(8)9(17)11(16)19/h2-4H,14H2,1H3,(H,15,18).
What are the key properties of 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide?
2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide has a molecular weight of 330.11 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)propanehydrazide is sourced from PubChem (CID 63582617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).