1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone

C12H10BrNOS — CID 79989868

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
SMILESCc1cc(C(=O)Cc2ccccn2)sc1Br
InChIInChI=1S/C12H10BrNOS/c1-8-6-11(16-12(8)13)10(15)7-9-4-2-3-5-14-9/h2-6H,7H2,1H3
InChIKeyDAFPZNLUEQRARX-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.64
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone

1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone (PubChem CID 79989868) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
PubChem CID79989868
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
SMILESCc1cc(C(=O)Cc2ccccn2)sc1Br
InChIInChI=1S/C12H10BrNOS/c1-8-6-11(16-12(8)13)10(15)7-9-4-2-3-5-14-9/h2-6H,7H2,1H3
InChIKeyDAFPZNLUEQRARX-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
CID 114962510
1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone
CID 61407072
2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
CID 79997206
2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
CID 79996962
2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65152808
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
CID 102752303
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide
CID 79734130
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656
1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one
CID 105373164
1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone
CID 130961567

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone (CID 79989868) is 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone is Cc1cc(C(=O)Cc2ccccn2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone?
The InChIKey is DAFPZNLUEQRARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-8-6-11(16-12(8)13)10(15)7-9-4-2-3-5-14-9/h2-6H,7H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone?
1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone has a molecular weight of 296.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 79989868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).