3-methyl-5-(4-methylsulfinylphenyl)pyridine

C13H13NOS — CID 91212115

IUPAC3-methyl-5-(4-methylsulfinylphenyl)pyridine
SMILESCc1cncc(-c2ccc(S(C)=O)cc2)c1
InChIInChI=1S/C13H13NOS/c1-10-7-12(9-14-8-10)11-3-5-13(6-4-11)16(2)15/h3-9H,1-2H3
InChIKeyPOXRYXBUABQBOJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.79
Rot. Bonds2

About 3-methyl-5-(4-methylsulfinylphenyl)pyridine

3-methyl-5-(4-methylsulfinylphenyl)pyridine (PubChem CID 91212115) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-methyl-5-(4-methylsulfinylphenyl)pyridine.

Molecular Properties

Compound Name3-methyl-5-(4-methylsulfinylphenyl)pyridine
PubChem CID91212115
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name3-methyl-5-(4-methylsulfinylphenyl)pyridine
SMILESCc1cncc(-c2ccc(S(C)=O)cc2)c1
InChIInChI=1S/C13H13NOS/c1-10-7-12(9-14-8-10)11-3-5-13(6-4-11)16(2)15/h3-9H,1-2H3
InChIKeyPOXRYXBUABQBOJ-UHFFFAOYSA-N
XLogP2.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-(4-methylsulfinylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 143453970
1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one
CID 115375052
2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine
CID 144889368
5-(5-methyl-3-pyridinyl)pyridin-2-amine
CID 115375024
N,N-dimethyl-2-[4-(5-methyl-3-pyridinyl)phenyl]acetamide
CID 72857576
2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole
CID 19995246
3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid
CID 167879093
3-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 131375541
dichloroplatinum;ethene;1-methyl-4-methylsulfinylbenzene
CID 134900367
1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene
CID 85239919
9-[4-(5-methyl-3-pyridinyl)phenyl]carbazole
CID 58151158

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylsulfinylphenyl)pyridine?
The IUPAC name of 3-methyl-5-(4-methylsulfinylphenyl)pyridine (CID 91212115) is 3-methyl-5-(4-methylsulfinylphenyl)pyridine.
What is the SMILES notation for 3-methyl-5-(4-methylsulfinylphenyl)pyridine?
The canonical SMILES for 3-methyl-5-(4-methylsulfinylphenyl)pyridine is Cc1cncc(-c2ccc(S(C)=O)cc2)c1.
What is the InChIKey of 3-methyl-5-(4-methylsulfinylphenyl)pyridine?
The InChIKey is POXRYXBUABQBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10-7-12(9-14-8-10)11-3-5-13(6-4-11)16(2)15/h3-9H,1-2H3.
What are the key properties of 3-methyl-5-(4-methylsulfinylphenyl)pyridine?
3-methyl-5-(4-methylsulfinylphenyl)pyridine has a molecular weight of 231.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylsulfinylphenyl)pyridine is sourced from PubChem (CID 91212115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).