2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone

C12H10BrNO2S — CID 115801115

IUPAC2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone
SMILESCOc1csc(C(=O)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C12H10BrNO2S/c1-16-10-5-12(17-7-10)11(15)4-9-3-2-8(13)6-14-9/h2-3,5-7H,4H2,1H3
InChIKeyDBFFVNPRLSTGNE-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.34
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone

2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone (PubChem CID 115801115) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone
PubChem CID115801115
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone
SMILESCOc1csc(C(=O)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C12H10BrNO2S/c1-16-10-5-12(17-7-10)11(15)4-9-3-2-8(13)6-14-9/h2-3,5-7H,4H2,1H3
InChIKeyDBFFVNPRLSTGNE-UHFFFAOYSA-N
XLogP3.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone (CID 115801115) is 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone is COc1csc(C(=O)Cc2ccc(Br)cn2)c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone?
The InChIKey is DBFFVNPRLSTGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c1-16-10-5-12(17-7-10)11(15)4-9-3-2-8(13)6-14-9/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone has a molecular weight of 312.19 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone is sourced from PubChem (CID 115801115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).