5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid

C13H10FNO2S — CID 117032191

IUPAC5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid
SMILESCc1cc(Sc2ccc(C(=O)O)nc2)ccc1F
InChIInChI=1S/C13H10FNO2S/c1-8-6-9(2-4-11(8)14)18-10-3-5-12(13(16)17)15-7-10/h2-7H,1H3,(H,16,17)
InChIKeyLUSPHOYHIZXHMG-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.38
Rot. Bonds3

About 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid

5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid (PubChem CID 117032191) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid
PubChem CID117032191
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC Name5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid
SMILESCc1cc(Sc2ccc(C(=O)O)nc2)ccc1F
InChIInChI=1S/C13H10FNO2S/c1-8-6-9(2-4-11(8)14)18-10-3-5-12(13(16)17)15-7-10/h2-7H,1H3,(H,16,17)
InChIKeyLUSPHOYHIZXHMG-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

5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 115491187
1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
CID 141268136
5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 115491247
5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid
CID 115491227
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carboxylic acid
CID 115491188
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 106921080
5-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 104638966
6-(3,4-difluorophenyl)sulfanyl-3-methylpyridine-2-carboxylic acid
CID 142714106
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
CID 116605281
1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one
CID 117034104
5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 79691259

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid (CID 117032191) is 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid is Cc1cc(Sc2ccc(C(=O)O)nc2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is LUSPHOYHIZXHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2S/c1-8-6-9(2-4-11(8)14)18-10-3-5-12(13(16)17)15-7-10/h2-7H,1H3,(H,16,17).
What are the key properties of 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid?
5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-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 5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 117032191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).