3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid

C13H10FNO2S — CID 105382754

IUPAC3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid
SMILESCc1ccc(Sc2nccc(C(=O)O)c2F)cc1
InChIInChI=1S/C13H10FNO2S/c1-8-2-4-9(5-3-8)18-12-11(14)10(13(16)17)6-7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyIACJDMYEDPNQMW-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.38
Rot. Bonds3

About 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid

3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid (PubChem CID 105382754) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid
PubChem CID105382754
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC Name3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid
SMILESCc1ccc(Sc2nccc(C(=O)O)c2F)cc1
InChIInChI=1S/C13H10FNO2S/c1-8-2-4-9(5-3-8)18-12-11(14)10(13(16)17)6-7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyIACJDMYEDPNQMW-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-fluoro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 136886230
3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid
CID 105382776
3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 105382764
3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid
CID 105382751
2-[2-(4-methylphenyl)sulfanylethylsulfanyl]pyridine-3-carboxylic acid
CID 43240998
3-fluoro-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 136886229
4-(4-fluorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
CID 81238999
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzoic acid
CID 63515253
3-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 107063739
benzoic acid;2-fluoro-4-methylpyridine
CID 174435105

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid (CID 105382754) is 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid is Cc1ccc(Sc2nccc(C(=O)O)c2F)cc1.
What is the InChIKey of 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is IACJDMYEDPNQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2S/c1-8-2-4-9(5-3-8)18-12-11(14)10(13(16)17)6-7-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid?
3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 105382754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).