[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol

C20H13Cl2NOS2 — CID 58463365

IUPAC[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2Cl)csc1-c1ccsc1
InChIInChI=1S/C20H13Cl2NOS2/c21-14-3-4-15(17(22)8-14)16-11-26-20(13-5-7-25-10-13)18(16)19(24)12-2-1-6-23-9-12/h1-11,19,24H
InChIKeyRKXRUICEGXEKAQ-UHFFFAOYSA-N
MW418.37 g/mol
LogP6.93
Rot. Bonds4

About [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol

[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463365) has the molecular formula C20H13Cl2NOS2 and a molecular weight of 418.37 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID58463365
Molecular FormulaC20H13Cl2NOS2
Molecular Weight418.37 g/mol
Exact Mass416.98
IUPAC Name[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2Cl)csc1-c1ccsc1
InChIInChI=1S/C20H13Cl2NOS2/c21-14-3-4-15(17(22)8-14)16-11-26-20(13-5-7-25-10-13)18(16)19(24)12-2-1-6-23-9-12/h1-11,19,24H
InChIKeyRKXRUICEGXEKAQ-UHFFFAOYSA-N
XLogP6.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol (CID 58463365) is [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2Cl)csc1-c1ccsc1.
What is the InChIKey of [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is RKXRUICEGXEKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NOS2/c21-14-3-4-15(17(22)8-14)16-11-26-20(13-5-7-25-10-13)18(16)19(24)12-2-1-6-23-9-12/h1-11,19,24H.
What are the key properties of [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 418.37 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).