1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone

C14H13NO2S — CID 114055674

IUPAC1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone
SMILESCSc1ccc(Oc2ncccc2C(C)=O)cc1
InChIInChI=1S/C14H13NO2S/c1-10(16)13-4-3-9-15-14(13)17-11-5-7-12(18-2)8-6-11/h3-9H,1-2H3
InChIKeyGBKYMGQJIVNIFB-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone

1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone (PubChem CID 114055674) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone
PubChem CID114055674
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone
SMILESCSc1ccc(Oc2ncccc2C(C)=O)cc1
InChIInChI=1S/C14H13NO2S/c1-10(16)13-4-3-9-15-14(13)17-11-5-7-12(18-2)8-6-11/h3-9H,1-2H3
InChIKeyGBKYMGQJIVNIFB-UHFFFAOYSA-N
XLogP3.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-2-(4-methylsulfanylphenoxy)pyridine
CID 63647867
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
2-(4-methylphenoxy)pyridine-3-carbonyl chloride
CID 2774899
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
S-(4-chlorophenyl) 2-phenoxypyridine-3-carbothioate
CID 2797684
1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
CID 130837604
N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 82253649
2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid
CID 11681522
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
CID 70069253
2-[4-(methylamino)phenoxy]pyridine-3-carboxamide
CID 54909137

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone (CID 114055674) is 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone is CSc1ccc(Oc2ncccc2C(C)=O)cc1.
What is the InChIKey of 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone?
The InChIKey is GBKYMGQJIVNIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-10(16)13-4-3-9-15-14(13)17-11-5-7-12(18-2)8-6-11/h3-9H,1-2H3.
What are the key properties of 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone?
1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone has a molecular weight of 259.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 114055674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).