2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone

C13H10F2N2O — CID 105091145

IUPAC2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cccc(F)c2F)cn1
InChIInChI=1S/C13H10F2N2O/c1-8-6-17-11(7-16-8)12(18)5-9-3-2-4-10(14)13(9)15/h2-4,6-7H,5H2,1H3
InChIKeyGEGWWAWCWGRENR-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.49
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone

2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 105091145) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID105091145
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cccc(F)c2F)cn1
InChIInChI=1S/C13H10F2N2O/c1-8-6-17-11(7-16-8)12(18)5-9-3-2-4-10(14)13(9)15/h2-4,6-7H,5H2,1H3
InChIKeyGEGWWAWCWGRENR-UHFFFAOYSA-N
XLogP2.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.49
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-(2,3-difluorophenyl)-1-pyrazin-2-ylethanone
CID 62621724
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105088099
2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079337
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (CID 105091145) is 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)Cc2cccc(F)c2F)cn1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is GEGWWAWCWGRENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c1-8-6-17-11(7-16-8)12(18)5-9-3-2-4-10(14)13(9)15/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 248.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 105091145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).