6-bromopyridine-2-carbohydrazide

C6H6BrN3O — CID 23467928

IUPAC6-bromopyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(Br)n1
InChIInChI=1S/C6H6BrN3O/c7-5-3-1-2-4(9-5)6(11)10-8/h1-3H,8H2,(H,10,11)
InChIKeyCUDQTPCGOPBJEO-UHFFFAOYSA-N
MW216.04 g/mol
LogP0.45
Rot. Bonds1

About 6-bromopyridine-2-carbohydrazide

6-bromopyridine-2-carbohydrazide (PubChem CID 23467928) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is 6-bromopyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-bromopyridine-2-carbohydrazide
PubChem CID23467928
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name6-bromopyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(Br)n1
InChIInChI=1S/C6H6BrN3O/c7-5-3-1-2-4(9-5)6(11)10-8/h1-3H,8H2,(H,10,11)
InChIKeyCUDQTPCGOPBJEO-UHFFFAOYSA-N
XLogP0.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 50.45
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromopyridine-2-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 6-bromopyridine-2-carbohydrazide?
The IUPAC name of 6-bromopyridine-2-carbohydrazide (CID 23467928) is 6-bromopyridine-2-carbohydrazide.
What is the SMILES notation for 6-bromopyridine-2-carbohydrazide?
The canonical SMILES for 6-bromopyridine-2-carbohydrazide is NNC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromopyridine-2-carbohydrazide?
The InChIKey is CUDQTPCGOPBJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-5-3-1-2-4(9-5)6(11)10-8/h1-3H,8H2,(H,10,11).
What are the key properties of 6-bromopyridine-2-carbohydrazide?
6-bromopyridine-2-carbohydrazide has a molecular weight of 216.04 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridine-2-carbohydrazide is sourced from PubChem (CID 23467928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).