2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine

C₁₃H₁₀ClN₃S — CID 91642715

About 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine

2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine (PubChem CID 91642715) has the molecular formula C₁₃H₁₀ClN₃S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine
• PubChem CID: 91642715
• Molecular Formula: C₁₃H₁₀ClN₃S
• Molecular Weight: 275.76 g/mol
• Exact Mass: 275.03
• IUPAC Name: 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine
• SMILES: Clc1ncccc1Cn1ccc(-c2ccsc2)n1
• InChI: InChI=1S/C13H10ClN3S/c14-13-10(2-1-5-15-13)8-17-6-3-12(16-17)11-4-7-18-9-11/h1-7,9H,8H2
• InChIKey: YGNKWEOGMNCENS-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.76
LogP ≤ 5	3.71
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-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine?

The IUPAC name of 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine (CID 91642715) is 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine.

What is the SMILES notation for 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine?

The canonical SMILES for 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine is Clc1ncccc1Cn1ccc(-c2ccsc2)n1.

What is the InChIKey of 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine?

The InChIKey is YGNKWEOGMNCENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-13-10(2-1-5-15-13)8-17-6-3-12(16-17)11-4-7-18-9-11/h1-7,9H,8H2.

What are the key properties of 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine?

2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine has a molecular weight of 275.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 91642715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91642715 — identifiers, structure, computed properties (public domain)

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