1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone

C15H14BrNO — CID 79746330

IUPAC1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cccc(Br)c2)nc1
InChIInChI=1S/C15H14BrNO/c1-2-11-6-7-14(17-10-11)9-15(18)12-4-3-5-13(16)8-12/h3-8,10H,2,9H2,1H3
InChIKeySULWEBNOYBASLV-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone

1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone (PubChem CID 79746330) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
PubChem CID79746330
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cccc(Br)c2)nc1
InChIInChI=1S/C15H14BrNO/c1-2-11-6-7-14(17-10-11)9-15(18)12-4-3-5-13(16)8-12/h3-8,10H,2,9H2,1H3
InChIKeySULWEBNOYBASLV-UHFFFAOYSA-N
XLogP3.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 115786328
1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116553891
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
1-(3-bromophenyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 69350663
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 114022019
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone (CID 79746330) is 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone is CCc1ccc(CC(=O)c2cccc(Br)c2)nc1.
What is the InChIKey of 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The InChIKey is SULWEBNOYBASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-2-11-6-7-14(17-10-11)9-15(18)12-4-3-5-13(16)8-12/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone?
1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone has a molecular weight of 304.19 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 79746330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).