(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone

C13H10FNOS — CID 114963550

IUPAC(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1cncc(F)c1
InChIInChI=1S/C13H10FNOS/c1-17-12-5-3-2-4-11(12)13(16)9-6-10(14)8-15-7-9/h2-8H,1H3
InChIKeyUQWNHWGVQXLEMI-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.17
Rot. Bonds3

About (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone

(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone (PubChem CID 114963550) has the molecular formula C13H10FNOS and a molecular weight of 247.29 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
PubChem CID114963550
Molecular FormulaC13H10FNOS
Molecular Weight247.29 g/mol
Exact Mass247.05
IUPAC Name(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1cncc(F)c1
InChIInChI=1S/C13H10FNOS/c1-17-12-5-3-2-4-11(12)13(16)9-6-10(14)8-15-7-9/h2-8H,1H3
InChIKeyUQWNHWGVQXLEMI-UHFFFAOYSA-N
XLogP3.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone (CID 114963550) is (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)c1cncc(F)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is UQWNHWGVQXLEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNOS/c1-17-12-5-3-2-4-11(12)13(16)9-6-10(14)8-15-7-9/h2-8H,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone?
(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 247.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 114963550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).