3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine

C13H11ClFNO3S — CID 67667457

IUPAC3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine
SMILESCOc1ccc(-c2ncc(S(C)(=O)=O)cc2Cl)c(F)c1
InChIInChI=1S/C13H11ClFNO3S/c1-19-8-3-4-10(12(15)5-8)13-11(14)6-9(7-16-13)20(2,17)18/h3-7H,1-2H3
InChIKeyZYUJGFBTCXQGGF-UHFFFAOYSA-N
MW315.75 g/mol
LogP2.95
Rot. Bonds3

About 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine

3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine (PubChem CID 67667457) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine.

Molecular Properties

Compound Name3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine
PubChem CID67667457
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC Name3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine
SMILESCOc1ccc(-c2ncc(S(C)(=O)=O)cc2Cl)c(F)c1
InChIInChI=1S/C13H11ClFNO3S/c1-19-8-3-4-10(12(15)5-8)13-11(14)6-9(7-16-13)20(2,17)18/h3-7H,1-2H3
InChIKeyZYUJGFBTCXQGGF-UHFFFAOYSA-N
XLogP2.95
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine?
The IUPAC name of 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine (CID 67667457) is 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine.
What is the SMILES notation for 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine?
The canonical SMILES for 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine is COc1ccc(-c2ncc(S(C)(=O)=O)cc2Cl)c(F)c1.
What is the InChIKey of 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine?
The InChIKey is ZYUJGFBTCXQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-19-8-3-4-10(12(15)5-8)13-11(14)6-9(7-16-13)20(2,17)18/h3-7H,1-2H3.
What are the key properties of 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine?
3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine has a molecular weight of 315.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine is sourced from PubChem (CID 67667457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).