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

C13H11FN2O — CID 105079151

IUPAC2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2ccccc2F)cn1
InChIInChI=1S/C13H11FN2O/c1-9-7-16-12(8-15-9)13(17)6-10-4-2-3-5-11(10)14/h2-5,7-8H,6H2,1H3
InChIKeyCQKFAMOHUKRPCD-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.35
Rot. Bonds3

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

2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 105079151) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID105079151
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2ccccc2F)cn1
InChIInChI=1S/C13H11FN2O/c1-9-7-16-12(8-15-9)13(17)6-10-4-2-3-5-11(10)14/h2-5,7-8H,6H2,1H3
InChIKeyCQKFAMOHUKRPCD-UHFFFAOYSA-N
XLogP2.35
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105091145
2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105088099
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079337
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
2-(2-fluorophenyl)-N-(6-methyl-3-pyridinyl)acetamide
CID 112532440
2-(2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105079227
2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803188

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (CID 105079151) is 2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)Cc2ccccc2F)cn1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is CQKFAMOHUKRPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-9-7-16-12(8-15-9)13(17)6-10-4-2-3-5-11(10)14/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 230.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 105079151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).