(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone

C12H8F2N2O — CID 105101741

IUPAC(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)c2cccc(F)c2F)cn1
InChIInChI=1S/C12H8F2N2O/c1-7-5-16-10(6-15-7)12(17)8-3-2-4-9(13)11(8)14/h2-6H,1H3
InChIKeyOYDDGRWIGAHZNW-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.29
Rot. Bonds2

About (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone

(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone (PubChem CID 105101741) has the molecular formula C12H8F2N2O and a molecular weight of 234.21 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
PubChem CID105101741
Molecular FormulaC12H8F2N2O
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)c2cccc(F)c2F)cn1
InChIInChI=1S/C12H8F2N2O/c1-7-5-16-10(6-15-7)12(17)8-3-2-4-9(13)11(8)14/h2-6H,1H3
InChIKeyOYDDGRWIGAHZNW-UHFFFAOYSA-N
XLogP2.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-pyrazin-2-ylmethanone
CID 63987968
2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105091145
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
CID 105095344
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone
CID 107976884
2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079151
(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105704
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 105101862
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 118679658
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone (CID 105101741) is (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)c2cccc(F)c2F)cn1.
What is the InChIKey of (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone?
The InChIKey is OYDDGRWIGAHZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O/c1-7-5-16-10(6-15-7)12(17)8-3-2-4-9(13)11(8)14/h2-6H,1H3.
What are the key properties of (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone?
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone has a molecular weight of 234.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 105101741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).