5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine

C12H12N2S — CID 13005056

IUPAC5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine
SMILESCc1ccc(Sc2ccc(C)cn2)nc1
InChIInChI=1S/C12H12N2S/c1-9-3-5-11(13-7-9)15-12-6-4-10(2)8-14-12/h3-8H,1-2H3
InChIKeyRIFZIPUXHGHSHN-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.24
Rot. Bonds2

About 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine

5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine (PubChem CID 13005056) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine
PubChem CID13005056
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine
SMILESCc1ccc(Sc2ccc(C)cn2)nc1
InChIInChI=1S/C12H12N2S/c1-9-3-5-11(13-7-9)15-12-6-4-10(2)8-14-12/h3-8H,1-2H3
InChIKeyRIFZIPUXHGHSHN-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine?
The IUPAC name of 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine (CID 13005056) is 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine.
What is the SMILES notation for 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine?
The canonical SMILES for 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine is Cc1ccc(Sc2ccc(C)cn2)nc1.
What is the InChIKey of 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine?
The InChIKey is RIFZIPUXHGHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-3-5-11(13-7-9)15-12-6-4-10(2)8-14-12/h3-8H,1-2H3.
What are the key properties of 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine?
5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine has a molecular weight of 216.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methyl-2-pyridinyl)sulfanyl]pyridine is sourced from PubChem (CID 13005056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).