5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid

C13H10FNO3S — CID 11391823

IUPAC5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)O)c1
InChIInChI=1S/C13H10FNO3S/c1-19-10-4-2-3-9(6-10)18-12-11(13(16)17)5-8(14)7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyFOHBJUNBHKWJSS-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.43
Rot. Bonds4

About 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid

5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid (PubChem CID 11391823) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid
PubChem CID11391823
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Name5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)O)c1
InChIInChI=1S/C13H10FNO3S/c1-19-10-4-2-3-9(6-10)18-12-11(13(16)17)5-8(14)7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyFOHBJUNBHKWJSS-UHFFFAOYSA-N
XLogP3.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid (CID 11391823) is 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid is CSc1cccc(Oc2ncc(F)cc2C(=O)O)c1.
What is the InChIKey of 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is FOHBJUNBHKWJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c1-19-10-4-2-3-9(6-10)18-12-11(13(16)17)5-8(14)7-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid?
5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 11391823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).