2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide

C8H9BrClN3O — CID 86737685

IUPAC2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide
SMILESCC(Br)(C(=O)NN)c1cccc(Cl)n1
InChIInChI=1S/C8H9BrClN3O/c1-8(9,7(14)13-11)5-3-2-4-6(10)12-5/h2-4H,11H2,1H3,(H,13,14)
InChIKeyCSLOPSHYOOFFPM-UHFFFAOYSA-N
MW278.54 g/mol
LogP1.34
Rot. Bonds2

About 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide

2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide (PubChem CID 86737685) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide.

Molecular Properties

Compound Name2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide
PubChem CID86737685
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide
SMILESCC(Br)(C(=O)NN)c1cccc(Cl)n1
InChIInChI=1S/C8H9BrClN3O/c1-8(9,7(14)13-11)5-3-2-4-6(10)12-5/h2-4H,11H2,1H3,(H,13,14)
InChIKeyCSLOPSHYOOFFPM-UHFFFAOYSA-N
XLogP1.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide 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 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide?
The IUPAC name of 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide (CID 86737685) is 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide.
What is the SMILES notation for 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide?
The canonical SMILES for 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide is CC(Br)(C(=O)NN)c1cccc(Cl)n1.
What is the InChIKey of 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide?
The InChIKey is CSLOPSHYOOFFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c1-8(9,7(14)13-11)5-3-2-4-6(10)12-5/h2-4H,11H2,1H3,(H,13,14).
What are the key properties of 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide?
2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide has a molecular weight of 278.54 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide is sourced from PubChem (CID 86737685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).