[3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol

C20H14Cl2FNO2S — CID 70883263

About [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol

[3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol (PubChem CID 70883263) has the molecular formula C20H14Cl2FNO2S and a molecular weight of 422.31 g/mol. Its IUPAC name is [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

• Compound Name: [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol
• PubChem CID: 70883263
• Molecular Formula: C20H14Cl2FNO2S
• Molecular Weight: 422.31 g/mol
• Exact Mass: 421.01
• IUPAC Name: [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol
• SMILES: OC(C1=C(c2ccc(Cl)s2)OCC1c1ccc(Cl)cc1F)c1cccnc1
• InChI: InChI=1S/C20H14Cl2FNO2S/c21-12-3-4-13(15(23)8-12)14-10-26-20(16-5-6-17(22)27-16)18(14)19(25)11-2-1-7-24-9-11/h1-9,14,19,25H,10H2
• InChIKey: QMGLSRFNCCXVEZ-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.31
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol?

The IUPAC name of [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol (CID 70883263) is [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol.

What is the SMILES notation for [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol?

The canonical SMILES for [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol is OC(C1=C(c2ccc(Cl)s2)OCC1c1ccc(Cl)cc1F)c1cccnc1.

What is the InChIKey of [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol?

The InChIKey is QMGLSRFNCCXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FNO2S/c21-12-3-4-13(15(23)8-12)14-10-26-20(16-5-6-17(22)27-16)18(14)19(25)11-2-1-7-24-9-11/h1-9,14,19,25H,10H2.

What are the key properties of [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol?

[3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol has a molecular weight of 422.31 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 70883263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).