1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone

C13H12ClNOS — CID 115786172

IUPAC1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2sccc2Cl)nc1
InChIInChI=1S/C13H12ClNOS/c1-2-9-3-4-10(15-8-9)7-12(16)13-11(14)5-6-17-13/h3-6,8H,2,7H2,1H3
InChIKeyVBHZHJLOKIYCSZ-UHFFFAOYSA-N
MW265.76 g/mol
LogP3.78
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone

1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone (PubChem CID 115786172) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
PubChem CID115786172
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2sccc2Cl)nc1
InChIInChI=1S/C13H12ClNOS/c1-2-9-3-4-10(15-8-9)7-12(16)13-11(14)5-6-17-13/h3-6,8H,2,7H2,1H3
InChIKeyVBHZHJLOKIYCSZ-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-1-(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-1-ethanone
CID 1474328
(E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone
CID 6244095
1-(5-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-1-ethanone
CID 1487180
5-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thiophenecarboxamide
CID 1487186
2-(4-Chloro-pyridin-2-yl)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 10783884
2-(5-Chloro-3-pyridinyl)-1-thiophen-2-ylethanone
CID 44445980
(2-Chlorophenyl)-[3-(2-chloro-4-pyridinyl)thiophen-2-yl]methanone
CID 145992591
2-(5-Ethyl-2-methylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone chloride
CID 16309063
1-(5-(Pyridin-3-yl)thiophen-2-yl)ethan-1-one
CID 15778480
1-(4-(3-Pyridinyl)-2-thienyl)ethanone
CID 604714
1-{Thieno[3,2-b]pyridin-6-yl}ethan-1-one
CID 12885494
1-Pyridin-4-yl-3-thiophen-2-ylpropane-1,3-dione
CID 238435

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone (CID 115786172) is 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone is CCc1ccc(CC(=O)c2sccc2Cl)nc1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
The InChIKey is VBHZHJLOKIYCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-2-9-3-4-10(15-8-9)7-12(16)13-11(14)5-6-17-13/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone has a molecular weight of 265.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 115786172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).