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

C9H12BrN3O2 — CID 83133151

IUPAC3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide
SMILESCc1cc(Br)cn(CCC(=O)NN)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-6-4-7(10)5-13(9(6)15)3-2-8(14)12-11/h4-5H,2-3,11H2,1H3,(H,12,14)
InChIKeyHLSNMKDOBQWGTD-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.30
Rot. Bonds3

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

3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide (PubChem CID 83133151) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide.

Molecular Properties

Compound Name3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide
PubChem CID83133151
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide
SMILESCc1cc(Br)cn(CCC(=O)NN)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-6-4-7(10)5-13(9(6)15)3-2-8(14)12-11/h4-5H,2-3,11H2,1H3,(H,12,14)
InChIKeyHLSNMKDOBQWGTD-UHFFFAOYSA-N
XLogP0.30
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.30
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-3-methyl-2-oxo-1-pyridinyl)propanehydrazide?
The IUPAC name of 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide (CID 83133151) is 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide.
What is the SMILES notation for 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide?
The canonical SMILES for 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide is Cc1cc(Br)cn(CCC(=O)NN)c1=O.
What is the InChIKey of 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide?
The InChIKey is HLSNMKDOBQWGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-6-4-7(10)5-13(9(6)15)3-2-8(14)12-11/h4-5H,2-3,11H2,1H3,(H,12,14).
What are the key properties of 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide?
3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide has a molecular weight of 274.12 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanehydrazide is sourced from PubChem (CID 83133151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).