6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid

C11H15NO2S — CID 62701108

IUPAC6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(SCC(C)C)n1
InChIInChI=1S/C11H15NO2S/c1-7(2)6-15-10-9(11(13)14)5-4-8(3)12-10/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyVDUDSIGWZADVOX-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.84
Rot. Bonds4

About 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid

6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid (PubChem CID 62701108) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid
PubChem CID62701108
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(SCC(C)C)n1
InChIInChI=1S/C11H15NO2S/c1-7(2)6-15-10-9(11(13)14)5-4-8(3)12-10/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyVDUDSIGWZADVOX-UHFFFAOYSA-N
XLogP2.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carboxymethylsulfanyl)-6-methylpyridine-3-carboxylic acid
CID 15732980
2-tert-butylsulfanyl-6-methylpyridine-3-carboxylic acid
CID 62701421
2-chloro-4-(2-methylpropylsulfanyl)benzoic acid
CID 62944925
6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62701272
2-(2-methylpropylsulfanyl)benzoic acid
CID 4051770
2,4-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid
CID 16770418
2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid
CID 62702093
6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 62702882
4-(2-methylpropylsulfanyl)benzoic acid
CID 16793794
2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62701818
6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62702619
6-chloro-2-ethylsulfanylpyridine-3-carboxylic acid
CID 63380230

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid (CID 62701108) is 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(SCC(C)C)n1.
What is the InChIKey of 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid?
The InChIKey is VDUDSIGWZADVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7(2)6-15-10-9(11(13)14)5-4-8(3)12-10/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid?
6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62701108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).