2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine

C₁₇H₁₄ClFN₄ — CID 172608605

About 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine

2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine (PubChem CID 172608605) has the molecular formula C₁₇H₁₄ClFN₄ and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
• PubChem CID: 172608605
• Molecular Formula: C₁₇H₁₄ClFN₄
• Molecular Weight: 328.78 g/mol
• Exact Mass: 328.09
• IUPAC Name: 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
• SMILES: Cn1ncnc1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1
• InChI: InChI=1S/C17H14ClFN4/c1-23-17(20-9-21-23)14-8-12(19)4-5-13(14)11-6-15(10-2-3-10)22-16(18)7-11/h4-10H,2-3H2,1H3
• InChIKey: BSVROXWBYSCQDE-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.78
LogP ≤ 5	4.21
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-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?

The IUPAC name of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine (CID 172608605) is 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine.

What is the SMILES notation for 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?

The canonical SMILES for 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine is Cn1ncnc1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1.

What is the InChIKey of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?

The InChIKey is BSVROXWBYSCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4/c1-23-17(20-9-21-23)14-8-12(19)4-5-13(14)11-6-15(10-2-3-10)22-16(18)7-11/h4-10H,2-3H2,1H3.

What are the key properties of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?

2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine has a molecular weight of 328.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine is sourced from PubChem (CID 172608605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172608605 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.