3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine

C19H15F3N2O3S — CID 72711829

IUPAC3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2C(F)(F)F)cn1
InChIInChI=1S/C19H15F3N2O3S/c1-27-17-8-5-13(10-23-17)16-9-14(11-24-18(16)19(20,21)22)12-3-6-15(7-4-12)28(2,25)26/h3-11H,1-2H3
InChIKeyQXXIYNYAUZDAOY-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.24
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine

3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine (PubChem CID 72711829) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine
PubChem CID72711829
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2C(F)(F)F)cn1
InChIInChI=1S/C19H15F3N2O3S/c1-27-17-8-5-13(10-23-17)16-9-14(11-24-18(16)19(20,21)22)12-3-6-15(7-4-12)28(2,25)26/h3-11H,1-2H3
InChIKeyQXXIYNYAUZDAOY-UHFFFAOYSA-N
XLogP4.24
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)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 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine (CID 72711829) is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine is COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2C(F)(F)F)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is QXXIYNYAUZDAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-27-17-8-5-13(10-23-17)16-9-14(11-24-18(16)19(20,21)22)12-3-6-15(7-4-12)28(2,25)26/h3-11H,1-2H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine?
3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine has a molecular weight of 408.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 72711829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).