3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline

C₁₄H₁₁FN₄O — CID 141266815

About 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline

3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline (PubChem CID 141266815) has the molecular formula C₁₄H₁₁FN₄O and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline.

Molecular Properties

• Compound Name: 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
• PubChem CID: 141266815
• Molecular Formula: C₁₄H₁₁FN₄O
• Molecular Weight: 270.27 g/mol
• Exact Mass: 270.09
• IUPAC Name: 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
• SMILES: Fc1cccc(NOc2ccnc(-c3cn[nH]c3)c2)c1
• InChI: InChI=1S/C14H11FN4O/c15-11-2-1-3-12(6-11)19-20-13-4-5-16-14(7-13)10-8-17-18-9-10/h1-9,19H,(H,17,18)
• InChIKey: HREQQLCPRCDMSP-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.27
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?

The IUPAC name of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline (CID 141266815) is 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline.

What is the SMILES notation for 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?

The canonical SMILES for 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline is Fc1cccc(NOc2ccnc(-c3cn[nH]c3)c2)c1.

What is the InChIKey of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?

The InChIKey is HREQQLCPRCDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-2-1-3-12(6-11)19-20-13-4-5-16-14(7-13)10-8-17-18-9-10/h1-9,19H,(H,17,18).

What are the key properties of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?

3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline has a molecular weight of 270.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline is sourced from PubChem (CID 141266815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141266815 — identifiers, structure, computed properties (public domain)

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