5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

C₂₀H₁₃F₂N₃ — CID 156734131

About 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (PubChem CID 156734131) has the molecular formula C₂₀H₁₃F₂N₃ and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.

Molecular Properties

• Compound Name: 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
• PubChem CID: 156734131
• Molecular Formula: C₂₀H₁₃F₂N₃
• Molecular Weight: 333.34 g/mol
• Exact Mass: 333.11
• IUPAC Name: 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
• SMILES: Fc1cc(F)cc(-c2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
• InChI: InChI=1S/C20H13F2N3/c21-15-9-14(10-16(22)12-15)13-4-6-19-18(11-13)20(25-24-19)7-5-17-3-1-2-8-23-17/h1-12H,(H,24,25)/b7-5+
• InChIKey: QUOOWHZYYXJNSD-FNORWQNLSA-N
• XLogP: 5.07
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	333.34
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?

The IUPAC name of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (CID 156734131) is 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.

What is the SMILES notation for 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?

The canonical SMILES for 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is Fc1cc(F)cc(-c2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.

What is the InChIKey of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?

The InChIKey is QUOOWHZYYXJNSD-FNORWQNLSA-N. The full InChI is InChI=1S/C20H13F2N3/c21-15-9-14(10-16(22)12-15)13-4-6-19-18(11-13)20(25-24-19)7-5-17-3-1-2-8-23-17/h1-12H,(H,24,25)/b7-5+.

What are the key properties of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?

5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole has a molecular weight of 333.34 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is sourced from PubChem (CID 156734131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156734131 — identifiers, structure, computed properties (public domain)

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