[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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Related Compounds

[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745417
[2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
CID 24745105
(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol
CID 24745262
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 67438518
[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane
CID 143495031
[2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
CID 24745257
[2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol
CID 24745420
[2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24744944
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674978
[4-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425

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).