2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine

C12H12N2OS — CID 144889368

IUPAC2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine
SMILESCc1cc(-c2cncc(S(C)=O)c2)ccn1
InChIInChI=1S/C12H12N2OS/c1-9-5-10(3-4-14-9)11-6-12(16(2)15)8-13-7-11/h3-8H,1-2H3
InChIKeyNFZLAIIHQOOCEY-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.19
Rot. Bonds2

About 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine

2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine (PubChem CID 144889368) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine
PubChem CID144889368
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine
SMILESCc1cc(-c2cncc(S(C)=O)c2)ccn1
InChIInChI=1S/C12H12N2OS/c1-9-5-10(3-4-14-9)11-6-12(16(2)15)8-13-7-11/h3-8H,1-2H3
InChIKeyNFZLAIIHQOOCEY-UHFFFAOYSA-N
XLogP2.19
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine?
The IUPAC name of 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine (CID 144889368) is 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine?
The canonical SMILES for 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine is Cc1cc(-c2cncc(S(C)=O)c2)ccn1.
What is the InChIKey of 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine?
The InChIKey is NFZLAIIHQOOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-5-10(3-4-14-9)11-6-12(16(2)15)8-13-7-11/h3-8H,1-2H3.
What are the key properties of 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine?
2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine has a molecular weight of 232.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methylsulfinyl-3-pyridinyl)pyridine is sourced from PubChem (CID 144889368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).