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

C17H18BrNO2 — CID 114968240

IUPAC1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2ccc(Br)c(C)c2)c1C
InChIInChI=1S/C17H18BrNO2/c1-10-7-13(5-6-14(10)18)16(20)8-15-12(3)17(21-4)11(2)9-19-15/h5-7,9H,8H2,1-4H3
InChIKeyGEIVWYVLFQXDQH-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.20
Rot. Bonds4

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

1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 114968240) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID114968240
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2ccc(Br)c(C)c2)c1C
InChIInChI=1S/C17H18BrNO2/c1-10-7-13(5-6-14(10)18)16(20)8-15-12(3)17(21-4)11(2)9-19-15/h5-7,9H,8H2,1-4H3
InChIKeyGEIVWYVLFQXDQH-UHFFFAOYSA-N
XLogP4.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968302
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116581908
1-(3-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548641
1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114905820
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
1-(2-bromophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62829657
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 105090450
1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 107101566
1-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62946334
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
CID 114964515

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (CID 114968240) is 1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is COc1c(C)cnc(CC(=O)c2ccc(Br)c(C)c2)c1C.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is GEIVWYVLFQXDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-10-7-13(5-6-14(10)18)16(20)8-15-12(3)17(21-4)11(2)9-19-15/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 348.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 114968240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).