2-bromo-6-methylpyridine-4-carbohydrazide

C7H8BrN3O — CID 45117000

IUPAC2-bromo-6-methylpyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NN)cc(Br)n1
InChIInChI=1S/C7H8BrN3O/c1-4-2-5(7(12)11-9)3-6(8)10-4/h2-3H,9H2,1H3,(H,11,12)
InChIKeyWPPIXMGCGJAAGU-UHFFFAOYSA-N
MW230.06 g/mol
LogP0.76
Rot. Bonds1

About 2-bromo-6-methylpyridine-4-carbohydrazide

2-bromo-6-methylpyridine-4-carbohydrazide (PubChem CID 45117000) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-bromo-6-methylpyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-bromo-6-methylpyridine-4-carbohydrazide
PubChem CID45117000
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name2-bromo-6-methylpyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NN)cc(Br)n1
InChIInChI=1S/C7H8BrN3O/c1-4-2-5(7(12)11-9)3-6(8)10-4/h2-3H,9H2,1H3,(H,11,12)
InChIKeyWPPIXMGCGJAAGU-UHFFFAOYSA-N
XLogP0.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 50.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylpyridine-4-carbohydrazide?
The IUPAC name of 2-bromo-6-methylpyridine-4-carbohydrazide (CID 45117000) is 2-bromo-6-methylpyridine-4-carbohydrazide.
What is the SMILES notation for 2-bromo-6-methylpyridine-4-carbohydrazide?
The canonical SMILES for 2-bromo-6-methylpyridine-4-carbohydrazide is Cc1cc(C(=O)NN)cc(Br)n1.
What is the InChIKey of 2-bromo-6-methylpyridine-4-carbohydrazide?
The InChIKey is WPPIXMGCGJAAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c1-4-2-5(7(12)11-9)3-6(8)10-4/h2-3H,9H2,1H3,(H,11,12).
What are the key properties of 2-bromo-6-methylpyridine-4-carbohydrazide?
2-bromo-6-methylpyridine-4-carbohydrazide has a molecular weight of 230.06 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyridine-4-carbohydrazide is sourced from PubChem (CID 45117000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).