2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone

C12H10BrNO2S — CID 115800936

IUPAC2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1ccsc1C(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C12H10BrNO2S/c1-16-11-4-5-17-12(11)10(15)6-9-3-2-8(13)7-14-9/h2-5,7H,6H2,1H3
InChIKeyNIARCKKHYGEDEP-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.34
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone

2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone (PubChem CID 115800936) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone
PubChem CID115800936
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1ccsc1C(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C12H10BrNO2S/c1-16-11-4-5-17-12(11)10(15)6-9-3-2-8(13)7-14-9/h2-5,7H,6H2,1H3
InChIKeyNIARCKKHYGEDEP-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

1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
CID 81122055
2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone
CID 115801115
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115800924
1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116602703
1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784375
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-one
CID 104798952
2-(5-bromo-2-pyridinyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanone
CID 114255296
1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one
CID 104799191

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone (CID 115800936) is 2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone is COc1ccsc1C(=O)Cc1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone?
The InChIKey is NIARCKKHYGEDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c1-16-11-4-5-17-12(11)10(15)6-9-3-2-8(13)7-14-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(3-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-(3-methoxythiophen-2-yl)ethanone is sourced from PubChem (CID 115800936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).