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

C8H9NO3S — CID 43409604

IUPAC2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(SCCO)c1
InChIInChI=1S/C8H9NO3S/c10-3-4-13-7-5-6(8(11)12)1-2-9-7/h1-2,5,10H,3-4H2,(H,11,12)
InChIKeyAPNKGZFMADUTLT-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.86
Rot. Bonds4

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

2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid (PubChem CID 43409604) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid
PubChem CID43409604
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(SCCO)c1
InChIInChI=1S/C8H9NO3S/c10-3-4-13-7-5-6(8(11)12)1-2-9-7/h1-2,5,10H,3-4H2,(H,11,12)
InChIKeyAPNKGZFMADUTLT-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

2-(4-cyanobutylsulfanyl)pyridine-4-carboxylic acid
CID 61301256
2-[(E)-3-chloroprop-2-enyl]sulfanylpyridine-4-carboxylic acid
CID 82238192
2-(3-anilino-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 61300890
2-[4-(diethylamino)-4-oxobutyl]sulfanylpyridine-4-carboxylic acid
CID 61301257
2-(trifluoromethylsulfanyl)pyridine-4-carboxylic acid
CID 61301083
2-[[1-(cyanomethyl)cyclopropyl]methylsulfanyl]pyridine-4-carboxylic acid
CID 65480703
2-(thiophen-3-ylmethylsulfanyl)pyridine-4-carboxylic acid
CID 61301082
2-[(3-cyanophenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 61300468
2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridine-4-carboxylic acid
CID 64771602
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]pyridine-4-carboxylic acid
CID 79772568
2-[(4-methoxyphenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 61300099
2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylpyridine-4-carboxylic acid
CID 61300310

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid (CID 43409604) is 2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(SCCO)c1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid?
The InChIKey is APNKGZFMADUTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-3-4-13-7-5-6(8(11)12)1-2-9-7/h1-2,5,10H,3-4H2,(H,11,12).
What are the key properties of 2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid?
2-(2-hydroxyethylsulfanyl)pyridine-4-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 2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 43409604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).