3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid

C8H8ClNO3S — CID 43617361

IUPAC3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(SCCO)ccc1Cl
InChIInChI=1S/C8H8ClNO3S/c9-5-1-2-6(14-4-3-11)10-7(5)8(12)13/h1-2,11H,3-4H2,(H,12,13)
InChIKeyAZPGMIBRRGGUAW-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.52
Rot. Bonds4

About 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid

3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid (PubChem CID 43617361) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid
PubChem CID43617361
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(SCCO)ccc1Cl
InChIInChI=1S/C8H8ClNO3S/c9-5-1-2-6(14-4-3-11)10-7(5)8(12)13/h1-2,11H,3-4H2,(H,12,13)
InChIKeyAZPGMIBRRGGUAW-UHFFFAOYSA-N
XLogP1.52
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid (CID 43617361) is 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid is O=C(O)c1nc(SCCO)ccc1Cl.
What is the InChIKey of 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid?
The InChIKey is AZPGMIBRRGGUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c9-5-1-2-6(14-4-3-11)10-7(5)8(12)13/h1-2,11H,3-4H2,(H,12,13).
What are the key properties of 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid?
3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid has a molecular weight of 233.68 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-hydroxyethylsulfanyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43617361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).