[4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

C22H15ClFNOS — CID 24745757

IUPAC[4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)csc1-c1ccccc1F
InChIInChI=1S/C22H15ClFNOS/c23-16-9-7-14(8-10-16)18-13-27-22(17-5-1-2-6-19(17)24)20(18)21(26)15-4-3-11-25-12-15/h1-13,21,26H
InChIKeySSDLYUWTAKIKOT-UHFFFAOYSA-N
MW395.89 g/mol
LogP6.35
Rot. Bonds4

About [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

[4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24745757) has the molecular formula C22H15ClFNOS and a molecular weight of 395.89 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24745757
Molecular FormulaC22H15ClFNOS
Molecular Weight395.89 g/mol
Exact Mass395.05
IUPAC Name[4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)csc1-c1ccccc1F
InChIInChI=1S/C22H15ClFNOS/c23-16-9-7-14(8-10-16)18-13-27-22(17-5-1-2-6-19(17)24)20(18)21(26)15-4-3-11-25-12-15/h1-13,21,26H
InChIKeySSDLYUWTAKIKOT-UHFFFAOYSA-N
XLogP6.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 24745757) is [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)csc1-c1ccccc1F.
What is the InChIKey of [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is SSDLYUWTAKIKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNOS/c23-16-9-7-14(8-10-16)18-13-27-22(17-5-1-2-6-19(17)24)20(18)21(26)15-4-3-11-25-12-15/h1-13,21,26H.
What are the key properties of [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
[4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 395.89 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24745757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).