2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone

C15H14BrNOS — CID 106847844

IUPAC2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H14BrNOS/c1-2-19-14-7-3-11(4-8-14)15(18)9-13-6-5-12(16)10-17-13/h3-8,10H,2,9H2,1H3
InChIKeyOGIZMNWVFUHCPK-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.38
Rot. Bonds5

About 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone

2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone (PubChem CID 106847844) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
PubChem CID106847844
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H14BrNOS/c1-2-19-14-7-3-11(4-8-14)15(18)9-13-6-5-12(16)10-17-13/h3-8,10H,2,9H2,1H3
InChIKeyOGIZMNWVFUHCPK-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66447293
2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
CID 104799249
2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
CID 145231908
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
1-(3-amino-4-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116552353
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115800924
1-(5-bromo-2-pyridinyl)-4-methylhexan-2-one
CID 115801004
2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-pyridinyl)ethanone
CID 104799261
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine
CID 115622309
1-(5-bromo-2-pyridinyl)-3,3-dimethylpentan-2-one
CID 115801075

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone (CID 106847844) is 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone is CCSc1ccc(C(=O)Cc2ccc(Br)cn2)cc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone?
The InChIKey is OGIZMNWVFUHCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-2-19-14-7-3-11(4-8-14)15(18)9-13-6-5-12(16)10-17-13/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone has a molecular weight of 336.25 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone is sourced from PubChem (CID 106847844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).