2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol

C7H8ClNOS — CID 2774937

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol
SMILESOCCSc1ccc(Cl)cn1
InChIInChI=1S/C7H8ClNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2
InChIKeyKLOJLJIHCJJDCT-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.82
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol

2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol (PubChem CID 2774937) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol
PubChem CID2774937
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol
SMILESOCCSc1ccc(Cl)cn1
InChIInChI=1S/C7H8ClNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2
InChIKeyKLOJLJIHCJJDCT-UHFFFAOYSA-N
XLogP1.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol (CID 2774937) is 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol is OCCSc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol?
The InChIKey is KLOJLJIHCJJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol?
2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol has a molecular weight of 189.67 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]ethanol is sourced from PubChem (CID 2774937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).