1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone

C12H11NO2S — CID 81122055

IUPAC1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
SMILESCOc1ccsc1C(=O)Cc1ccccn1
InChIInChI=1S/C12H11NO2S/c1-15-11-5-7-16-12(11)10(14)8-9-4-2-3-6-13-9/h2-7H,8H2,1H3
InChIKeyHMIPJJVNDBMLOL-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.58
Rot. Bonds4

About 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone

1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone (PubChem CID 81122055) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
PubChem CID81122055
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
SMILESCOc1ccsc1C(=O)Cc1ccccn1
InChIInChI=1S/C12H11NO2S/c1-15-11-5-7-16-12(11)10(14)8-9-4-2-3-6-13-9/h2-7H,8H2,1H3
InChIKeyHMIPJJVNDBMLOL-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115800936
1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784375
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid
CID 83214023
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone
CID 105108103
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115779604
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone (CID 81122055) is 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone is COc1ccsc1C(=O)Cc1ccccn1.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone?
The InChIKey is HMIPJJVNDBMLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-15-11-5-7-16-12(11)10(14)8-9-4-2-3-6-13-9/h2-7H,8H2,1H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone?
1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone has a molecular weight of 233.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 81122055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).