2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine

C15H8Cl2F3N3O2S — CID 173158321

IUPAC2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine
SMILESO=S(=O)(n1ccnc1-c1cccnc1-c1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C15H8Cl2F3N3O2S/c16-9-3-4-10(12(17)8-9)13-11(2-1-5-21-13)14-22-6-7-23(14)26(24,25)15(18,19)20/h1-8H
InChIKeyJAMPNPQMOGLVGS-UHFFFAOYSA-N
MW422.22 g/mol
LogP4.62
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine

2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine (PubChem CID 173158321) has the molecular formula C15H8Cl2F3N3O2S and a molecular weight of 422.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine
PubChem CID173158321
Molecular FormulaC15H8Cl2F3N3O2S
Molecular Weight422.22 g/mol
Exact Mass420.97
IUPAC Name2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine
SMILESO=S(=O)(n1ccnc1-c1cccnc1-c1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C15H8Cl2F3N3O2S/c16-9-3-4-10(12(17)8-9)13-11(2-1-5-21-13)14-22-6-7-23(14)26(24,25)15(18,19)20/h1-8H
InChIKeyJAMPNPQMOGLVGS-UHFFFAOYSA-N
XLogP4.62
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.22
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine (CID 173158321) is 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine is O=S(=O)(n1ccnc1-c1cccnc1-c1ccc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine?
The InChIKey is JAMPNPQMOGLVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3N3O2S/c16-9-3-4-10(12(17)8-9)13-11(2-1-5-21-13)14-22-6-7-23(14)26(24,25)15(18,19)20/h1-8H.
What are the key properties of 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine?
2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine has a molecular weight of 422.22 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 173158321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).