3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid

C9H10FNO2S — CID 105382776

IUPAC3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid
SMILESCCCSc1nccc(C(=O)O)c1F
InChIInChI=1S/C9H10FNO2S/c1-2-5-14-8-7(10)6(9(12)13)3-4-11-8/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyHETXOIDPTUMSHV-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.42
Rot. Bonds4

About 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid

3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid (PubChem CID 105382776) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid
PubChem CID105382776
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid
SMILESCCCSc1nccc(C(=O)O)c1F
InChIInChI=1S/C9H10FNO2S/c1-2-5-14-8-7(10)6(9(12)13)3-4-11-8/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyHETXOIDPTUMSHV-UHFFFAOYSA-N
XLogP2.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid
CID 105382754
2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
CID 80700083
3-fluoro-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 136886229
3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 105382795
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluoropyridine-4-carboxylic acid
CID 105382801
2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381871
3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid
CID 105382751
3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 105382764
2-(propyldisulfanyl)pyridine-3-carboxylic acid
CID 86193847
3-pentylsulfanylpyridazine-4-carboxylic acid
CID 107757902
3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
3-fluoro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 136886230

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid (CID 105382776) is 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid is CCCSc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid?
The InChIKey is HETXOIDPTUMSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c1-2-5-14-8-7(10)6(9(12)13)3-4-11-8/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid?
3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 105382776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).