3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide

C8H10BrN3O2 — CID 63579330

IUPAC3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide
SMILESNNC(=O)CCn1cc(Br)ccc1=O
InChIInChI=1S/C8H10BrN3O2/c9-6-1-2-8(14)12(5-6)4-3-7(13)11-10/h1-2,5H,3-4,10H2,(H,11,13)
InChIKeyQEKQKNFRKZAMTH-UHFFFAOYSA-N
MW260.09 g/mol
LogP-0.01
Rot. Bonds3

About 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide

3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide (PubChem CID 63579330) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide
PubChem CID63579330
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide
SMILESNNC(=O)CCn1cc(Br)ccc1=O
InChIInChI=1S/C8H10BrN3O2/c9-6-1-2-8(14)12(5-6)4-3-7(13)11-10/h1-2,5H,3-4,10H2,(H,11,13)
InChIKeyQEKQKNFRKZAMTH-UHFFFAOYSA-N
XLogP-0.01
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide?
The IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide (CID 63579330) is 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide.
What is the SMILES notation for 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide?
The canonical SMILES for 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide is NNC(=O)CCn1cc(Br)ccc1=O.
What is the InChIKey of 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide?
The InChIKey is QEKQKNFRKZAMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-1-2-8(14)12(5-6)4-3-7(13)11-10/h1-2,5H,3-4,10H2,(H,11,13).
What are the key properties of 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide?
3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide has a molecular weight of 260.09 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1-pyridinyl)propanehydrazide is sourced from PubChem (CID 63579330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).