2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone

C12H10BrNO2S — CID 105092531

IUPAC2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1cc(Br)cs1
InChIInChI=1S/C12H10BrNO2S/c1-16-12-10(3-2-4-14-12)11(15)6-9-5-8(13)7-17-9/h2-5,7H,6H2,1H3
InChIKeyPJTSDDYPRIBNHK-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.34
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone

2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone (PubChem CID 105092531) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
PubChem CID105092531
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1cc(Br)cs1
InChIInChI=1S/C12H10BrNO2S/c1-16-12-10(3-2-4-14-12)11(15)6-9-5-8(13)7-17-9/h2-5,7H,6H2,1H3
InChIKeyPJTSDDYPRIBNHK-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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Related Compounds

2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105079137
2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105078628
N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine
CID 43721999
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105126756
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 115580215
2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877646
2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969425
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone (CID 105092531) is 2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone is COc1ncccc1C(=O)Cc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone?
The InChIKey is PJTSDDYPRIBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c1-16-12-10(3-2-4-14-12)11(15)6-9-5-8(13)7-17-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)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-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 105092531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).