2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine

C14H13ClF3N3O — CID 140856590

About 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine

2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine (PubChem CID 140856590) has the molecular formula C14H13ClF3N3O and a molecular weight of 331.73 g/mol. Its IUPAC name is 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine
• PubChem CID: 140856590
• Molecular Formula: C14H13ClF3N3O
• Molecular Weight: 331.73 g/mol
• Exact Mass: 331.07
• IUPAC Name: 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine
• SMILES: FC(F)(F)C1(CCOc2ccn(-c3cccc(Cl)n3)n2)CC1
• InChI: InChI=1S/C14H13ClF3N3O/c15-10-2-1-3-11(19-10)21-8-4-12(20-21)22-9-7-13(5-6-13)14(16,17)18/h1-4,8H,5-7,9H2
• InChIKey: KHBBYWAAJVDDOS-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.73
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine?

The IUPAC name of 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine (CID 140856590) is 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine.

What is the SMILES notation for 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine?

The canonical SMILES for 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine is FC(F)(F)C1(CCOc2ccn(-c3cccc(Cl)n3)n2)CC1.

What is the InChIKey of 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine?

The InChIKey is KHBBYWAAJVDDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O/c15-10-2-1-3-11(19-10)21-8-4-12(20-21)22-9-7-13(5-6-13)14(16,17)18/h1-4,8H,5-7,9H2.

What are the key properties of 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine?

2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine has a molecular weight of 331.73 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine is sourced from PubChem (CID 140856590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).