1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one

C13H13NOS — CID 135036167

IUPAC1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one
SMILESCc1cccc(CC(=O)Cc2cccs2)n1
InChIInChI=1S/C13H13NOS/c1-10-4-2-5-11(14-10)8-12(15)9-13-6-3-7-16-13/h2-7H,8-9H2,1H3
InChIKeyQJFHDXHYNVXFLK-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.81
Rot. Bonds4

About 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one

1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one (PubChem CID 135036167) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one
PubChem CID135036167
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one
SMILESCc1cccc(CC(=O)Cc2cccs2)n1
InChIInChI=1S/C13H13NOS/c1-10-4-2-5-11(14-10)8-12(15)9-13-6-3-7-16-13/h2-7H,8-9H2,1H3
InChIKeyQJFHDXHYNVXFLK-UHFFFAOYSA-N
XLogP2.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-2-pyridinyl)-1-thiophen-2-ylethanone
CID 121015161
1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63554522
CID 131847838
CID 131847838
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
1-thiophen-2-ylhexane-2,4-dione
CID 86201838
N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 103598251
1-(4-tert-butyl-2,6-dimethylphenyl)-3-thiophen-2-ylpropan-2-one
CID 63411637
methyl 3-oxo-4-thiophen-2-ylbutanoate
CID 165358561
1-methylsulfonyl-3-thiophen-2-ylpropan-2-one
CID 62622490
1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone
CID 81221087
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62502351
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one (CID 135036167) is 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one is Cc1cccc(CC(=O)Cc2cccs2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one?
The InChIKey is QJFHDXHYNVXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10-4-2-5-11(14-10)8-12(15)9-13-6-3-7-16-13/h2-7H,8-9H2,1H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one?
1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one has a molecular weight of 231.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 135036167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).