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

C12H11NOS — CID 102830690

IUPAC1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone
SMILESCc1sccc1C(=O)Cc1cccnc1
InChIInChI=1S/C12H11NOS/c1-9-11(4-6-15-9)12(14)7-10-3-2-5-13-8-10/h2-6,8H,7H2,1H3
InChIKeyDSOZXUOCFXXCTG-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.88
Rot. Bonds3

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

1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone (PubChem CID 102830690) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone
PubChem CID102830690
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone
SMILESCc1sccc1C(=O)Cc1cccnc1
InChIInChI=1S/C12H11NOS/c1-9-11(4-6-15-9)12(14)7-10-3-2-5-13-8-10/h2-6,8H,7H2,1H3
InChIKeyDSOZXUOCFXXCTG-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
1-(4-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799222
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethanone
CID 102752411
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone
CID 104735973
1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
CID 86729069
1-(2-propoxyphenyl)-2-pyridin-3-ylethanone
CID 113438197
2-pyridin-3-ylacetyl chloride
CID 14697475
CID 66868100
CID 66868100
1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone
CID 115799235

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone (CID 102830690) is 1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone is Cc1sccc1C(=O)Cc1cccnc1.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone?
The InChIKey is DSOZXUOCFXXCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-11(4-6-15-9)12(14)7-10-3-2-5-13-8-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone?
1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone has a molecular weight of 217.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 102830690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).