5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide

C7H8BrN3O2 — CID 67507411

IUPAC5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide
SMILESCN(N)C(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C7H8BrN3O2/c1-11(9)7(13)5-2-4(8)3-10-6(5)12/h2-3H,9H2,1H3,(H,10,12)
InChIKeyLNDVENGCNVGCLC-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.08
Rot. Bonds1

About 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide

5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 67507411) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide
PubChem CID67507411
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide
SMILESCN(N)C(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C7H8BrN3O2/c1-11(9)7(13)5-2-4(8)3-10-6(5)12/h2-3H,9H2,1H3,(H,10,12)
InChIKeyLNDVENGCNVGCLC-UHFFFAOYSA-N
XLogP0.08
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide?
The IUPAC name of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide (CID 67507411) is 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide?
The canonical SMILES for 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide is CN(N)C(=O)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide?
The InChIKey is LNDVENGCNVGCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c1-11(9)7(13)5-2-4(8)3-10-6(5)12/h2-3H,9H2,1H3,(H,10,12).
What are the key properties of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide?
5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 246.06 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 67507411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).