2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone

C15H14BrNO2 — CID 104799303

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cncc(Br)c2)cc1C
InChIInChI=1S/C15H14BrNO2/c1-10-5-12(3-4-15(10)19-2)14(18)7-11-6-13(16)9-17-8-11/h3-6,8-9H,7H2,1-2H3
InChIKeyGLRIAQGTQZQHOT-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.59
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone

2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone (PubChem CID 104799303) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
PubChem CID104799303
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cncc(Br)c2)cc1C
InChIInChI=1S/C15H14BrNO2/c1-10-5-12(3-4-15(10)19-2)14(18)7-11-6-13(16)9-17-8-11/h3-6,8-9H,7H2,1-2H3
InChIKeyGLRIAQGTQZQHOT-UHFFFAOYSA-N
XLogP3.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
CID 103373346
2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
CID 104798917
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379558
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
11-bromo-1-(4-methoxy-3-methylphenyl)undecan-1-one
CID 102469746
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
CID 114964515

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone (CID 104799303) is 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone is COc1ccc(C(=O)Cc2cncc(Br)c2)cc1C.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone?
The InChIKey is GLRIAQGTQZQHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-5-12(3-4-15(10)19-2)14(18)7-11-6-13(16)9-17-8-11/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone has a molecular weight of 320.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 104799303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).