2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone

C13H10BrFN2O — CID 105090063

IUPAC2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cc(F)ccc2Br)cn1
InChIInChI=1S/C13H10BrFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-4-10(15)2-3-11(9)14/h2-4,6-7H,5H2,1H3
InChIKeyQRPXYLHMCYPVEY-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.11
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone

2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 105090063) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID105090063
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cc(F)ccc2Br)cn1
InChIInChI=1S/C13H10BrFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-4-10(15)2-3-11(9)14/h2-4,6-7H,5H2,1H3
InChIKeyQRPXYLHMCYPVEY-UHFFFAOYSA-N
XLogP3.11
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218
2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105088099
2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195468
2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079151
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105083662
2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105091145
2-(2-bromo-5-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105090170
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730447
2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079337

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (CID 105090063) is 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)Cc2cc(F)ccc2Br)cn1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is QRPXYLHMCYPVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-4-10(15)2-3-11(9)14/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 309.14 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 105090063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).