2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid

C8H8FNO2S — CID 80700083

IUPAC2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCCF
InChIInChI=1S/C8H8FNO2S/c9-3-5-13-7-6(8(11)12)2-1-4-10-7/h1-2,4H,3,5H2,(H,11,12)
InChIKeyASXUZXRPRXNYEU-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid

2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid (PubChem CID 80700083) has the molecular formula C8H8FNO2S and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
PubChem CID80700083
Molecular FormulaC8H8FNO2S
Molecular Weight201.22 g/mol
Exact Mass201.03
IUPAC Name2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCCF
InChIInChI=1S/C8H8FNO2S/c9-3-5-13-7-6(8(11)12)2-1-4-10-7/h1-2,4H,3,5H2,(H,11,12)
InChIKeyASXUZXRPRXNYEU-UHFFFAOYSA-N
XLogP1.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethylsulfanyl)pyridine-3-carboxylic acid;hydrochloride
CID 70452935
2-but-3-ynylsulfanylpyridine-3-carboxylic acid
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2-(2-phenoxyethylsulfanyl)pyridine-3-carboxylic acid
CID 43238191
2-[2-(4-methylphenyl)sulfanylethylsulfanyl]pyridine-3-carboxylic acid
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2-(2-pyridin-3-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 63265060
2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]pyridine-3-carboxylic acid
CID 112587932
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
CID 82889436
2-(2,2-difluoro-2-phenylethyl)sulfanylpyridine-3-carboxylic acid
CID 116788531
2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid
CID 46398493
2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylpyridine-3-carboxylic acid
CID 165344033
2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid
CID 62625755
2-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]pyridine-3-carboxylic acid
CID 43352282

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid (CID 80700083) is 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1SCCF.
What is the InChIKey of 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid?
The InChIKey is ASXUZXRPRXNYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2S/c9-3-5-13-7-6(8(11)12)2-1-4-10-7/h1-2,4H,3,5H2,(H,11,12).
What are the key properties of 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid?
2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 80700083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).