2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine

C20H17Cl2NOS — CID 57297527

IUPAC2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine
SMILESCc1c(-c2ccc(S(C)=O)cc2)cnc(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C20H17Cl2NOS/c1-12-13(2)20(16-5-4-6-18(21)19(16)22)23-11-17(12)14-7-9-15(10-8-14)25(3)24/h4-11H,1-3H3
InChIKeyOFSRAMULIUKSCE-UHFFFAOYSA-N
MW390.34 g/mol
LogP6.08
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine

2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine (PubChem CID 57297527) has the molecular formula C20H17Cl2NOS and a molecular weight of 390.34 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine
PubChem CID57297527
Molecular FormulaC20H17Cl2NOS
Molecular Weight390.34 g/mol
Exact Mass389.04
IUPAC Name2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine
SMILESCc1c(-c2ccc(S(C)=O)cc2)cnc(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C20H17Cl2NOS/c1-12-13(2)20(16-5-4-6-18(21)19(16)22)23-11-17(12)14-7-9-15(10-8-14)25(3)24/h4-11H,1-3H3
InChIKeyOFSRAMULIUKSCE-UHFFFAOYSA-N
XLogP6.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine?
The IUPAC name of 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine (CID 57297527) is 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine is Cc1c(-c2ccc(S(C)=O)cc2)cnc(-c2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine?
The InChIKey is OFSRAMULIUKSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NOS/c1-12-13(2)20(16-5-4-6-18(21)19(16)22)23-11-17(12)14-7-9-15(10-8-14)25(3)24/h4-11H,1-3H3.
What are the key properties of 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine?
2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine has a molecular weight of 390.34 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine is sourced from PubChem (CID 57297527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).