[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine

C₉H₇BrClN₅O₃S — CID 62245676

About [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62245676) has the molecular formula C₉H₇BrClN₅O₃S and a molecular weight of 380.61 g/mol. Its IUPAC name is [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

• Compound Name: [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
• PubChem CID: 62245676
• Molecular Formula: C₉H₇BrClN₅O₃S
• Molecular Weight: 380.61 g/mol
• Exact Mass: 378.91
• IUPAC Name: [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
• SMILES: NNc1snnc1COc1c(Br)cc(Cl)cc1[N+](=O)[O-]
• InChI: InChI=1S/C9H7BrClN5O3S/c10-5-1-4(11)2-7(16(17)18)8(5)19-3-6-9(13-12)20-15-14-6/h1-2,13H,3,12H2
• InChIKey: JWMANSSCWMYXAG-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 116.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.61
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?

The IUPAC name of [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 62245676) is [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine.

What is the SMILES notation for [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?

The canonical SMILES for [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine is NNc1snnc1COc1c(Br)cc(Cl)cc1[N+](=O)[O-].

What is the InChIKey of [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?

The InChIKey is JWMANSSCWMYXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN5O3S/c10-5-1-4(11)2-7(16(17)18)8(5)19-3-6-9(13-12)20-15-14-6/h1-2,13H,3,12H2.

What are the key properties of [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?

[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 380.61 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62245676 — identifiers, structure, computed properties (public domain)

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