2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine

C20H18FNO3S — CID 74237966

IUPAC2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ccc(-c2cccc(OCc3ccccc3F)c2)nc1
InChIInChI=1S/C20H18FNO3S/c1-26(23,24)14-15-9-10-20(22-12-15)16-6-4-7-18(11-16)25-13-17-5-2-3-8-19(17)21/h2-12H,13-14H2,1H3
InChIKeyGSHDZNQCZNHOGE-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.01
Rot. Bonds6

About 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine

2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine (PubChem CID 74237966) has the molecular formula C20H18FNO3S and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine
PubChem CID74237966
Molecular FormulaC20H18FNO3S
Molecular Weight371.43 g/mol
Exact Mass371.10
IUPAC Name2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ccc(-c2cccc(OCc3ccccc3F)c2)nc1
InChIInChI=1S/C20H18FNO3S/c1-26(23,24)14-15-9-10-20(22-12-15)16-6-4-7-18(11-16)25-13-17-5-2-3-8-19(17)21/h2-12H,13-14H2,1H3
InChIKeyGSHDZNQCZNHOGE-UHFFFAOYSA-N
XLogP4.01
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine?
The IUPAC name of 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine (CID 74237966) is 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine is CS(=O)(=O)Cc1ccc(-c2cccc(OCc3ccccc3F)c2)nc1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine?
The InChIKey is GSHDZNQCZNHOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3S/c1-26(23,24)14-15-9-10-20(22-12-15)16-6-4-7-18(11-16)25-13-17-5-2-3-8-19(17)21/h2-12H,13-14H2,1H3.
What are the key properties of 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine?
2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine has a molecular weight of 371.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methoxy]phenyl]-5-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 74237966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).