1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone

C14H12FNOS — CID 143311342

IUPAC1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(CSc2ccccc2F)n1
InChIInChI=1S/C14H12FNOS/c1-10(17)13-7-4-5-11(16-13)9-18-14-8-3-2-6-12(14)15/h2-8H,9H2,1H3
InChIKeyVZHQJNFZZPERSW-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.72
Rot. Bonds4

About 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone

1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone (PubChem CID 143311342) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone
PubChem CID143311342
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(CSc2ccccc2F)n1
InChIInChI=1S/C14H12FNOS/c1-10(17)13-7-4-5-11(16-13)9-18-14-8-3-2-6-12(14)15/h2-8H,9H2,1H3
InChIKeyVZHQJNFZZPERSW-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone (CID 143311342) is 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone is CC(=O)c1cccc(CSc2ccccc2F)n1.
What is the InChIKey of 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone?
The InChIKey is VZHQJNFZZPERSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-10(17)13-7-4-5-11(16-13)9-18-14-8-3-2-6-12(14)15/h2-8H,9H2,1H3.
What are the key properties of 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone?
1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone has a molecular weight of 261.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 143311342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).