4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid

C8H9NO3S — CID 79007092

IUPAC4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1SCCO
InChIInChI=1S/C8H9NO3S/c10-3-4-13-7-1-2-9-5-6(7)8(11)12/h1-2,5,10H,3-4H2,(H,11,12)
InChIKeyBPMALNUEPFWANU-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.86
Rot. Bonds4

About 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid

4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid (PubChem CID 79007092) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid
PubChem CID79007092
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1SCCO
InChIInChI=1S/C8H9NO3S/c10-3-4-13-7-1-2-9-5-6(7)8(11)12/h1-2,5,10H,3-4H2,(H,11,12)
InChIKeyBPMALNUEPFWANU-UHFFFAOYSA-N
XLogP0.86
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(diethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 114233075
4-(methyldisulfanyl)pyridine-3-carboxylic acid
CID 135338592
4-(4-chlorophenyl)sulfanylpyridine-3-carboxylic acid
CID 13220911
4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid
CID 55269515
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-(3-methoxy-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 105062859
4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 81237081
4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid
CID 55264048
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
4-iodopyridine-3-carboxylic acid
CID 818279
4-fluoropyridine-3-carboxylic acid
CID 2762936
2-(5-aminoisoquinolin-8-yl)sulfanylethanol
CID 103140967

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid (CID 79007092) is 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1SCCO.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid?
The InChIKey is BPMALNUEPFWANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-3-4-13-7-1-2-9-5-6(7)8(11)12/h1-2,5,10H,3-4H2,(H,11,12).
What are the key properties of 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid?
4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79007092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).