2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone

C14H13BrN2O2 — CID 105083662

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCOc1ccc(CC(=O)c2cnc(C)cn2)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-9-7-17-12(8-16-9)13(18)6-10-3-4-14(19-2)11(15)5-10/h3-5,7-8H,6H2,1-2H3
InChIKeyIKFMFGQQVBVGHS-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone

2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 105083662) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID105083662
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCOc1ccc(CC(=O)c2cnc(C)cn2)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-9-7-17-12(8-16-9)13(18)6-10-3-4-14(19-2)11(15)5-10/h3-5,7-8H,6H2,1-2H3
InChIKeyIKFMFGQQVBVGHS-UHFFFAOYSA-N
XLogP2.98
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79723493
2-(3-bromo-4-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102950057
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116582135
2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079337
2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
CID 54971414
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105103657
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone (CID 105083662) is 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone is COc1ccc(CC(=O)c2cnc(C)cn2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is IKFMFGQQVBVGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-7-17-12(8-16-9)13(18)6-10-3-4-14(19-2)11(15)5-10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone?
2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 321.17 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 105083662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).