[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate

C₂₀H₁₄FN₃O₃ — CID 1369263

About [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate

[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate (PubChem CID 1369263) has the molecular formula C₂₀H₁₄FN₃O₃ and a molecular weight of 363.35 g/mol. Its IUPAC name is [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate.

Molecular Properties

• Compound Name: [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
• PubChem CID: 1369263
• Molecular Formula: C₂₀H₁₄FN₃O₃
• Molecular Weight: 363.35 g/mol
• Exact Mass: 363.10
• IUPAC Name: [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
• SMILES: O=C(Oc1ccc(C=NNC(=O)c2ccccn2)cc1)c1cccc(F)c1
• InChI: InChI=1S/C20H14FN3O3/c21-16-5-3-4-15(12-16)20(26)27-17-9-7-14(8-10-17)13-23-24-19(25)18-6-1-2-11-22-18/h1-13H,(H,24,25)
• InChIKey: SANYQGILAFMDKB-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 80.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.35
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate?

The IUPAC name of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate (CID 1369263) is [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate.

What is the SMILES notation for [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate?

The canonical SMILES for [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate is O=C(Oc1ccc(C=NNC(=O)c2ccccn2)cc1)c1cccc(F)c1.

What is the InChIKey of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate?

The InChIKey is SANYQGILAFMDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-16-5-3-4-15(12-16)20(26)27-17-9-7-14(8-10-17)13-23-24-19(25)18-6-1-2-11-22-18/h1-13H,(H,24,25).

What are the key properties of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate?

[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate has a molecular weight of 363.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate is sourced from PubChem (CID 1369263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1369263 — identifiers, structure, computed properties (public domain)

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