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

C13H10BrFN2O — CID 105088099

IUPAC2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cc(Br)ccc2F)cn1
InChIInChI=1S/C13H10BrFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-4-10(14)2-3-11(9)15/h2-4,6-7H,5H2,1H3
InChIKeyCFTPIRFRMRJFMR-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.11
Rot. Bonds3

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

2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 105088099) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID105088099
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cc(Br)ccc2F)cn1
InChIInChI=1S/C13H10BrFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-4-10(14)2-3-11(9)15/h2-4,6-7H,5H2,1H3
InChIKeyCFTPIRFRMRJFMR-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-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079151
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105091145
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274265
2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079337
2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105083662
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (CID 105088099) is 2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)Cc2cc(Br)ccc2F)cn1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is CFTPIRFRMRJFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-4-10(14)2-3-11(9)15/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
2-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 105088099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).