1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one

C12H10BrNOS — CID 105128801

IUPAC1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1ccc(Br)cn1
InChIInChI=1S/C12H10BrNOS/c13-10-1-2-11(14-7-10)6-12(15)5-9-3-4-16-8-9/h1-4,7-8H,5-6H2
InChIKeyXMZAACJJMGXQCG-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.26
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one

1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one (PubChem CID 105128801) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one
PubChem CID105128801
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1ccc(Br)cn1
InChIInChI=1S/C12H10BrNOS/c13-10-1-2-11(14-7-10)6-12(15)5-9-3-4-16-8-9/h1-4,7-8H,5-6H2
InChIKeyXMZAACJJMGXQCG-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol
CID 105126288
1-(5-bromo-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 115800898
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738
1-(5-bromo-2-pyridinyl)pent-4-en-2-one
CID 116659555
1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
CID 62800195
1-(5-bromo-2-pyridinyl)-3-methylsulfonylpropan-2-one
CID 115800953
1-(5-bromo-2-pyridinyl)-4-methylhexan-2-one
CID 115801004
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide
CID 81489498
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622132
1-(5-bromo-2-pyridinyl)decan-2-one
CID 115800946
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-one
CID 104798819

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one (CID 105128801) is 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is XMZAACJJMGXQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-10-1-2-11(14-7-10)6-12(15)5-9-3-4-16-8-9/h1-4,7-8H,5-6H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one?
1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 296.19 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 105128801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).