1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone

C14H11Br2NO — CID 113398297

IUPAC1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ncc(Br)cc2Br)c1
InChIInChI=1S/C14H11Br2NO/c1-9-3-2-4-10(5-9)6-13(18)14-12(16)7-11(15)8-17-14/h2-5,7-8H,6H2,1H3
InChIKeyOTSOGZUQIICUDV-UHFFFAOYSA-N
MW369.06 g/mol
LogP4.34
Rot. Bonds3

About 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone

1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone (PubChem CID 113398297) has the molecular formula C14H11Br2NO and a molecular weight of 369.06 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone
PubChem CID113398297
Molecular FormulaC14H11Br2NO
Molecular Weight369.06 g/mol
Exact Mass366.92
IUPAC Name1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ncc(Br)cc2Br)c1
InChIInChI=1S/C14H11Br2NO/c1-9-3-2-4-10(5-9)6-13(18)14-12(16)7-11(15)8-17-14/h2-5,7-8H,6H2,1H3
InChIKeyOTSOGZUQIICUDV-UHFFFAOYSA-N
XLogP4.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079337
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone
CID 106854616
2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099524
azanium 2-(3-methylphenyl)acetate
CID 141323779
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
CID 105079378
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone (CID 113398297) is 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2ncc(Br)cc2Br)c1.
What is the InChIKey of 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone?
The InChIKey is OTSOGZUQIICUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO/c1-9-3-2-4-10(5-9)6-13(18)14-12(16)7-11(15)8-17-14/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone?
1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone has a molecular weight of 369.06 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 113398297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).