(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol

C18H12ClFN4OS — CID 66749334

About (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol

(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol (PubChem CID 66749334) has the molecular formula C18H12ClFN4OS and a molecular weight of 386.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
• PubChem CID: 66749334
• Molecular Formula: C18H12ClFN4OS
• Molecular Weight: 386.84 g/mol
• Exact Mass: 386.04
• IUPAC Name: (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
• SMILES: OC(c1ccc(Cl)cc1)c1cc(-c2ccnc(F)c2)sc1-c1ncn[nH]1
• InChI: InChI=1S/C18H12ClFN4OS/c19-12-3-1-10(2-4-12)16(25)13-8-14(11-5-6-21-15(20)7-11)26-17(13)18-22-9-23-24-18/h1-9,16,25H,(H,22,23,24)
• InChIKey: ZWZHBQNBFMESER-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 74.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.84
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol?

The IUPAC name of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol (CID 66749334) is (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol.

What is the SMILES notation for (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol?

The canonical SMILES for (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol is OC(c1ccc(Cl)cc1)c1cc(-c2ccnc(F)c2)sc1-c1ncn[nH]1.

What is the InChIKey of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol?

The InChIKey is ZWZHBQNBFMESER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4OS/c19-12-3-1-10(2-4-12)16(25)13-8-14(11-5-6-21-15(20)7-11)26-17(13)18-22-9-23-24-18/h1-9,16,25H,(H,22,23,24).

What are the key properties of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol?

(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol has a molecular weight of 386.84 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol is sourced from PubChem (CID 66749334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).