4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine

C19H15ClFNO3S — CID 159283747

IUPAC4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H15ClFNO3S/c1-26(23,24)12-16-10-14(20)11-19(22-16)13-2-6-17(7-3-13)25-18-8-4-15(21)5-9-18/h2-11H,12H2,1H3
InChIKeyONYJBOVIOHTSTK-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.88
Rot. Bonds5

About 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine

4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine (PubChem CID 159283747) has the molecular formula C19H15ClFNO3S and a molecular weight of 391.85 g/mol. Its IUPAC name is 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine
PubChem CID159283747
Molecular FormulaC19H15ClFNO3S
Molecular Weight391.85 g/mol
Exact Mass391.04
IUPAC Name4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H15ClFNO3S/c1-26(23,24)12-16-10-14(20)11-19(22-16)13-2-6-17(7-3-13)25-18-8-4-15(21)5-9-18/h2-11H,12H2,1H3
InChIKeyONYJBOVIOHTSTK-UHFFFAOYSA-N
XLogP4.88
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine?
The IUPAC name of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine (CID 159283747) is 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine?
The canonical SMILES for 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine is CS(=O)(=O)Cc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine?
The InChIKey is ONYJBOVIOHTSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3S/c1-26(23,24)12-16-10-14(20)11-19(22-16)13-2-6-17(7-3-13)25-18-8-4-15(21)5-9-18/h2-11H,12H2,1H3.
What are the key properties of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine?
4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine has a molecular weight of 391.85 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 159283747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).