2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone

C12H8Br2N2O — CID 104799249

IUPAC2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cncc(Br)c1
InChIInChI=1S/C12H8Br2N2O/c13-9-1-2-11(16-7-9)4-12(17)8-3-10(14)6-15-5-8/h1-3,5-7H,4H2
InChIKeyVDIPMRCMDXDTLK-UHFFFAOYSA-N
MW356.02 g/mol
LogP3.43
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone

2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone (PubChem CID 104799249) has the molecular formula C12H8Br2N2O and a molecular weight of 356.02 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
PubChem CID104799249
Molecular FormulaC12H8Br2N2O
Molecular Weight356.02 g/mol
Exact Mass353.90
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cncc(Br)c1
InChIInChI=1S/C12H8Br2N2O/c13-9-1-2-11(16-7-9)4-12(17)8-3-10(14)6-15-5-8/h1-3,5-7H,4H2
InChIKeyVDIPMRCMDXDTLK-UHFFFAOYSA-N
XLogP3.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.02
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-pyridinyl)ethanone
CID 104799261
2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847844
1-(3-amino-4-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116552353
1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66447293
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115800924
2-(5-bromo-2-pyridinyl)-1-(1-phenylpyrazol-4-yl)ethanone
CID 105128778
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
CID 104798897
2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902
2-(5-bromo-2-pyridinyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 105128789
1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 79746330
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
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-(5-bromo-3-pyridinyl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone (CID 104799249) is 2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone is O=C(Cc1ccc(Br)cn1)c1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone?
The InChIKey is VDIPMRCMDXDTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O/c13-9-1-2-11(16-7-9)4-12(17)8-3-10(14)6-15-5-8/h1-3,5-7H,4H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone has a molecular weight of 356.02 g/mol, XLogP of 3.43, 3 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-(5-bromo-3-pyridinyl)ethanone is sourced from PubChem (CID 104799249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).