1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one

C12H10BrNOS — CID 62620028

IUPAC1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one
SMILESO=C(Cc1ccccn1)Cc1ccc(Br)s1
InChIInChI=1S/C12H10BrNOS/c13-12-5-4-11(16-12)8-10(15)7-9-3-1-2-6-14-9/h1-6H,7-8H2
InChIKeyQFXDAMHDRSZFMW-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.26
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one

1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one (PubChem CID 62620028) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one
PubChem CID62620028
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one
SMILESO=C(Cc1ccccn1)Cc1ccc(Br)s1
InChIInChI=1S/C12H10BrNOS/c13-12-5-4-11(16-12)8-10(15)7-9-3-1-2-6-14-9/h1-6H,7-8H2
InChIKeyQFXDAMHDRSZFMW-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-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642235
1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105087342
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
CID 105089327
2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine
CID 55206860
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331
CID 131857449
CID 131857449
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
CID 79989868
1-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-2-one
CID 15055632
4-methyl-1-pyridin-2-ylheptan-2-one
CID 62620777
2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65152808

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one (CID 62620028) is 1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one is O=C(Cc1ccccn1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one?
The InChIKey is QFXDAMHDRSZFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-12-5-4-11(16-12)8-10(15)7-9-3-1-2-6-14-9/h1-6H,7-8H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one?
1-(5-bromothiophen-2-yl)-3-pyridin-2-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-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 62620028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).