4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide

C9H12BrN3O2 — CID 114761608

IUPAC4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide
SMILESNNC(=O)CCCn1cccc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c10-7-3-1-5-13(9(7)15)6-2-4-8(14)12-11/h1,3,5H,2,4,6,11H2,(H,12,14)
InChIKeyHRLQLURMOBOXKZ-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.38
Rot. Bonds4

About 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide

4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide (PubChem CID 114761608) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide.

Molecular Properties

Compound Name4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide
PubChem CID114761608
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide
SMILESNNC(=O)CCCn1cccc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c10-7-3-1-5-13(9(7)15)6-2-4-8(14)12-11/h1,3,5H,2,4,6,11H2,(H,12,14)
InChIKeyHRLQLURMOBOXKZ-UHFFFAOYSA-N
XLogP0.38
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.38
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 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide?
The IUPAC name of 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide (CID 114761608) is 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide.
What is the SMILES notation for 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide?
The canonical SMILES for 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide is NNC(=O)CCCn1cccc(Br)c1=O.
What is the InChIKey of 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide?
The InChIKey is HRLQLURMOBOXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-7-3-1-5-13(9(7)15)6-2-4-8(14)12-11/h1,3,5H,2,4,6,11H2,(H,12,14).
What are the key properties of 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide?
4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide has a molecular weight of 274.12 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide is sourced from PubChem (CID 114761608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).