6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

C9H8F3NO2S — CID 19257215

IUPAC6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCSc1nc(C)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H8F3NO2S/c1-4-3-5(9(10,11)12)6(8(14)15)7(13-4)16-2/h3H,1-2H3,(H,14,15)
InChIKeyZUEBLBADOXJMMS-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.83
Rot. Bonds2

About 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 19257215) has the molecular formula C9H8F3NO2S and a molecular weight of 251.23 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID19257215
Molecular FormulaC9H8F3NO2S
Molecular Weight251.23 g/mol
Exact Mass251.02
IUPAC Name6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCSc1nc(C)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H8F3NO2S/c1-4-3-5(9(10,11)12)6(8(14)15)7(13-4)16-2/h3H,1-2H3,(H,14,15)
InChIKeyZUEBLBADOXJMMS-UHFFFAOYSA-N
XLogP2.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 19257215) is 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is CSc1nc(C)cc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is ZUEBLBADOXJMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S/c1-4-3-5(9(10,11)12)6(8(14)15)7(13-4)16-2/h3H,1-2H3,(H,14,15).
What are the key properties of 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 251.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 19257215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).