1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone

C13H11Cl2NOS — CID 114022019

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(Cl)sc2Cl)nc1
InChIInChI=1S/C13H11Cl2NOS/c1-2-8-3-4-9(16-7-8)5-11(17)10-6-12(14)18-13(10)15/h3-4,6-7H,2,5H2,1H3
InChIKeyRCHLODNPHGQJCY-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.44
Rot. Bonds4

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

1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone (PubChem CID 114022019) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone
PubChem CID114022019
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(Cl)sc2Cl)nc1
InChIInChI=1S/C13H11Cl2NOS/c1-2-8-3-4-9(16-7-8)5-11(17)10-6-12(14)18-13(10)15/h3-4,6-7H,2,5H2,1H3
InChIKeyRCHLODNPHGQJCY-UHFFFAOYSA-N
XLogP4.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone (CID 114022019) is 1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone is CCc1ccc(CC(=O)c2cc(Cl)sc2Cl)nc1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
The InChIKey is RCHLODNPHGQJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c1-2-8-3-4-9(16-7-8)5-11(17)10-6-12(14)18-13(10)15/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone has a molecular weight of 300.21 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 114022019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).