4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid

C15H15NO2S — CID 54896310

IUPAC4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Sc2ccccc2C)n1
InChIInChI=1S/C15H15NO2S/c1-9-6-4-5-7-12(9)19-14-13(15(17)18)10(2)8-11(3)16-14/h4-8H,1-3H3,(H,17,18)
InChIKeySQJGGKOQIMSXNT-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.86
Rot. Bonds3

About 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid

4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid (PubChem CID 54896310) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
PubChem CID54896310
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Sc2ccccc2C)n1
InChIInChI=1S/C15H15NO2S/c1-9-6-4-5-7-12(9)19-14-13(15(17)18)10(2)8-11(3)16-14/h4-8H,1-3H3,(H,17,18)
InChIKeySQJGGKOQIMSXNT-UHFFFAOYSA-N
XLogP3.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid (CID 54896310) is 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Sc2ccccc2C)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is SQJGGKOQIMSXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-9-6-4-5-7-12(9)19-14-13(15(17)18)10(2)8-11(3)16-14/h4-8H,1-3H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 54896310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).