3-methyl-2-(2-phenylsulfanylphenyl)pyridine

C18H15NS — CID 102335498

IUPAC3-methyl-2-(2-phenylsulfanylphenyl)pyridine
SMILESCc1cccnc1-c1ccccc1Sc1ccccc1
InChIInChI=1S/C18H15NS/c1-14-8-7-13-19-18(14)16-11-5-6-12-17(16)20-15-9-3-2-4-10-15/h2-13H,1H3
InChIKeyGKUMYOYMFLHYDD-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.21
Rot. Bonds3

About 3-methyl-2-(2-phenylsulfanylphenyl)pyridine

3-methyl-2-(2-phenylsulfanylphenyl)pyridine (PubChem CID 102335498) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-methyl-2-(2-phenylsulfanylphenyl)pyridine.

Molecular Properties

Compound Name3-methyl-2-(2-phenylsulfanylphenyl)pyridine
PubChem CID102335498
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name3-methyl-2-(2-phenylsulfanylphenyl)pyridine
SMILESCc1cccnc1-c1ccccc1Sc1ccccc1
InChIInChI=1S/C18H15NS/c1-14-8-7-13-19-18(14)16-11-5-6-12-17(16)20-15-9-3-2-4-10-15/h2-13H,1H3
InChIKeyGKUMYOYMFLHYDD-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Phenylpropyl)Pyridine
CID 459494
2-Phenylpyridine
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CID 7581
2-(2-Phenylethyl)pyridine
CID 75028
2-(1-Phenylethenyl)pyridine
CID 139919
5-Phenyl-2-propylpyridine
CID 529355
4-(2,2-Diphenylethenyl)pyridine
CID 4594970
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
4-(4-(Thiophen-2-yl)benzyl)pyridine
CID 46901783
2-Methyl-5-phenylpyridine
CID 76744
9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene
CID 9796255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-phenylsulfanylphenyl)pyridine?
The IUPAC name of 3-methyl-2-(2-phenylsulfanylphenyl)pyridine (CID 102335498) is 3-methyl-2-(2-phenylsulfanylphenyl)pyridine.
What is the SMILES notation for 3-methyl-2-(2-phenylsulfanylphenyl)pyridine?
The canonical SMILES for 3-methyl-2-(2-phenylsulfanylphenyl)pyridine is Cc1cccnc1-c1ccccc1Sc1ccccc1.
What is the InChIKey of 3-methyl-2-(2-phenylsulfanylphenyl)pyridine?
The InChIKey is GKUMYOYMFLHYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-14-8-7-13-19-18(14)16-11-5-6-12-17(16)20-15-9-3-2-4-10-15/h2-13H,1H3.
What are the key properties of 3-methyl-2-(2-phenylsulfanylphenyl)pyridine?
3-methyl-2-(2-phenylsulfanylphenyl)pyridine has a molecular weight of 277.39 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-phenylsulfanylphenyl)pyridine is sourced from PubChem (CID 102335498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).