(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone

C19H14FNOS — CID 11393131

IUPAC(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone
SMILESCSc1ccc(-c2ncccc2C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H14FNOS/c1-23-16-9-7-13(8-10-16)18-17(6-3-11-21-18)19(22)14-4-2-5-15(20)12-14/h2-12H,1H3
InChIKeyXWORUDPRYTWNFO-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.84
Rot. Bonds4

About (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone

(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone (PubChem CID 11393131) has the molecular formula C19H14FNOS and a molecular weight of 323.39 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone
PubChem CID11393131
Molecular FormulaC19H14FNOS
Molecular Weight323.39 g/mol
Exact Mass323.08
IUPAC Name(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone
SMILESCSc1ccc(-c2ncccc2C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H14FNOS/c1-23-16-9-7-13(8-10-16)18-17(6-3-11-21-18)19(22)14-4-2-5-15(20)12-14/h2-12H,1H3
InChIKeyXWORUDPRYTWNFO-UHFFFAOYSA-N
XLogP4.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone (CID 11393131) is (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone is CSc1ccc(-c2ncccc2C(=O)c2cccc(F)c2)cc1.
What is the InChIKey of (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone?
The InChIKey is XWORUDPRYTWNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNOS/c1-23-16-9-7-13(8-10-16)18-17(6-3-11-21-18)19(22)14-4-2-5-15(20)12-14/h2-12H,1H3.
What are the key properties of (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone?
(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone has a molecular weight of 323.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 11393131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).