[5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol

C22H16ClF2NOS — CID 70883193

IUPAC[5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
SMILESOC(C1=C(c2cccc(Cl)c2)SCC1c1ccc(F)cc1F)c1cccnc1
InChIInChI=1S/C22H16ClF2NOS/c23-15-5-1-3-13(9-15)22-20(21(27)14-4-2-8-26-11-14)18(12-28-22)17-7-6-16(24)10-19(17)25/h1-11,18,21,27H,12H2
InChIKeyQCZXMGIMBDEJQJ-UHFFFAOYSA-N
MW415.89 g/mol
LogP5.99
Rot. Bonds4

About [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol

[5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol (PubChem CID 70883193) has the molecular formula C22H16ClF2NOS and a molecular weight of 415.89 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
PubChem CID70883193
Molecular FormulaC22H16ClF2NOS
Molecular Weight415.89 g/mol
Exact Mass415.06
IUPAC Name[5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
SMILESOC(C1=C(c2cccc(Cl)c2)SCC1c1ccc(F)cc1F)c1cccnc1
InChIInChI=1S/C22H16ClF2NOS/c23-15-5-1-3-13(9-15)22-20(21(27)14-4-2-8-26-11-14)18(12-28-22)17-7-6-16(24)10-19(17)25/h1-11,18,21,27H,12H2
InChIKeyQCZXMGIMBDEJQJ-UHFFFAOYSA-N
XLogP5.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.89
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-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

Related Compounds

(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
(4-Chloro-phenyl)-pyridin-3-yl-(3-trifluoromethyl-phenyl)-methanol: (Hydrochloride)
CID 44356977
(4-Chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol
CID 56662415
(4-Chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
CID 56662427
(4-Chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol
CID 56668900
(4-Chlorophenyl)-(2-fluorophenyl)-pyridin-3-ylmethanol
CID 56669183
(4-Chlorophenyl)-(2,4-difluorophenyl)-pyridin-3-ylmethanol
CID 56675888
(4-Chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol
CID 56675903
(4-Chloro-2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56679210
(4-Chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 56679447
Bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol
CID 56682755
Phenyl-(4-chlorophenyl)-(3-pyridyl)carbinol
CID 44356574

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol (CID 70883193) is [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol is OC(C1=C(c2cccc(Cl)c2)SCC1c1ccc(F)cc1F)c1cccnc1.
What is the InChIKey of [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol?
The InChIKey is QCZXMGIMBDEJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2NOS/c23-15-5-1-3-13(9-15)22-20(21(27)14-4-2-8-26-11-14)18(12-28-22)17-7-6-16(24)10-19(17)25/h1-11,18,21,27H,12H2.
What are the key properties of [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol?
[5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol has a molecular weight of 415.89 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 70883193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).