5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane

C20H21ClN2OS — CID 142984761

IUPAC5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane
SMILESCC.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)=O)cc2)cn1
InChIInChI=1S/C18H15ClN2OS.C2H6/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)23(2)22;1-2/h3-11H,1-2H3;1-2H3
InChIKeyHWSCFIPPPWZNKH-UHFFFAOYSA-N
MW372.92 g/mol
LogP5.54
Rot. Bonds3

About 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane

5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane (PubChem CID 142984761) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane.

Molecular Properties

Compound Name5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane
PubChem CID142984761
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC Name5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane
SMILESCC.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)=O)cc2)cn1
InChIInChI=1S/C18H15ClN2OS.C2H6/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)23(2)22;1-2/h3-11H,1-2H3;1-2H3
InChIKeyHWSCFIPPPWZNKH-UHFFFAOYSA-N
XLogP5.54
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.92
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane?
The IUPAC name of 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane (CID 142984761) is 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane.
What is the SMILES notation for 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane?
The canonical SMILES for 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane is CC.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)=O)cc2)cn1.
What is the InChIKey of 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane?
The InChIKey is HWSCFIPPPWZNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS.C2H6/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)23(2)22;1-2/h3-11H,1-2H3;1-2H3.
What are the key properties of 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane?
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane has a molecular weight of 372.92 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane is sourced from PubChem (CID 142984761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).