4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine

C18H15ClN2O2S — CID 18184550

IUPAC4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
SMILESCc1ccc(-c2nccc(Cl)c2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C18H15ClN2O2S/c1-12-3-4-14(11-21-12)18-17(16(19)9-10-20-18)13-5-7-15(8-6-13)24(2,22)23/h3-11H,1-2H3
InChIKeyFYLXKUOXLRPJAC-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.18
Rot. Bonds3

About 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine

4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine (PubChem CID 18184550) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
PubChem CID18184550
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
SMILESCc1ccc(-c2nccc(Cl)c2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C18H15ClN2O2S/c1-12-3-4-14(11-21-12)18-17(16(19)9-10-20-18)13-5-7-15(8-6-13)24(2,22)23/h3-11H,1-2H3
InChIKeyFYLXKUOXLRPJAC-UHFFFAOYSA-N
XLogP4.18
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine (CID 18184550) is 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine is Cc1ccc(-c2nccc(Cl)c2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
The InChIKey is FYLXKUOXLRPJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(11-21-12)18-17(16(19)9-10-20-18)13-5-7-15(8-6-13)24(2,22)23/h3-11H,1-2H3.
What are the key properties of 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine?
4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine has a molecular weight of 358.85 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 18184550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).