2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol

C11H9Cl2NOS — CID 79427524

IUPAC2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccncc1Cl)c1cc(Cl)cs1
InChIInChI=1S/C11H9Cl2NOS/c12-8-4-11(16-6-8)10(15)3-7-1-2-14-5-9(7)13/h1-2,4-6,10,15H,3H2
InChIKeyALQUYQWPTJQGPA-UHFFFAOYSA-N
MW274.17 g/mol
LogP3.73
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol

2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol (PubChem CID 79427524) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol
PubChem CID79427524
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccncc1Cl)c1cc(Cl)cs1
InChIInChI=1S/C11H9Cl2NOS/c12-8-4-11(16-6-8)10(15)3-7-1-2-14-5-9(7)13/h1-2,4-6,10,15H,3H2
InChIKeyALQUYQWPTJQGPA-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427421
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642016
2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 114852395
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81143765
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825207
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 79427974
1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol
CID 79427096
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105539
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 81446998
[2-(3-chloro-4-pyridinyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253773

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol (CID 79427524) is 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol is OC(Cc1ccncc1Cl)c1cc(Cl)cs1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol?
The InChIKey is ALQUYQWPTJQGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c12-8-4-11(16-6-8)10(15)3-7-1-2-14-5-9(7)13/h1-2,4-6,10,15H,3H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol?
2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol has a molecular weight of 274.17 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 79427524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).