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

C22H13Cl4NOS — CID 24745417

IUPAC[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2Cl)csc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H13Cl4NOS/c23-13-3-5-15(18(25)8-13)17-11-29-22(16-6-4-14(24)9-19(16)26)20(17)21(28)12-2-1-7-27-10-12/h1-11,21,28H
InChIKeyCFEIFAWUHUKTRE-UHFFFAOYSA-N
MW481.23 g/mol
LogP8.17
Rot. Bonds4

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

[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24745417) has the molecular formula C22H13Cl4NOS and a molecular weight of 481.23 g/mol. Its IUPAC name is [2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24745417
Molecular FormulaC22H13Cl4NOS
Molecular Weight481.23 g/mol
Exact Mass478.95
IUPAC Name[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2Cl)csc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H13Cl4NOS/c23-13-3-5-15(18(25)8-13)17-11-29-22(16-6-4-14(24)9-19(16)26)20(17)21(28)12-2-1-7-27-10-12/h1-11,21,28H
InChIKeyCFEIFAWUHUKTRE-UHFFFAOYSA-N
XLogP8.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.23
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 24745417) is [2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2Cl)csc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is CFEIFAWUHUKTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl4NOS/c23-13-3-5-15(18(25)8-13)17-11-29-22(16-6-4-14(24)9-19(16)26)20(17)21(28)12-2-1-7-27-10-12/h1-11,21,28H.
What are the key properties of [2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 481.23 g/mol, XLogP of 8.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24745417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).