N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide

C₁₄H₁₁F₃N₂O₂ — CID 107358541

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide (PubChem CID 107358541) has the molecular formula C₁₄H₁₁F₃N₂O₂ and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
• PubChem CID: 107358541
• Molecular Formula: C₁₄H₁₁F₃N₂O₂
• Molecular Weight: 296.25 g/mol
• Exact Mass: 296.08
• IUPAC Name: N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
• SMILES: O=C(NCc1ccccc1OC(F)F)c1cccnc1F
• InChI: InChI=1S/C14H11F3N2O2/c15-12-10(5-3-7-18-12)13(20)19-8-9-4-1-2-6-11(9)21-14(16)17/h1-7,14H,8H2,(H,19,20)
• InChIKey: IELDFUJZGSOXHT-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.25
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide?

The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide (CID 107358541) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide.

What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide?

The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide is O=C(NCc1ccccc1OC(F)F)c1cccnc1F.

What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide?

The InChIKey is IELDFUJZGSOXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-12-10(5-3-7-18-12)13(20)19-8-9-4-1-2-6-11(9)21-14(16)17/h1-7,14H,8H2,(H,19,20).

What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide?

N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107358541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107358541 — identifiers, structure, computed properties (public domain)

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