(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone

C13H11FN2O — CID 105095344

IUPAC(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)c2cc(F)ccc2C)cn1
InChIInChI=1S/C13H11FN2O/c1-8-3-4-10(14)5-11(8)13(17)12-7-15-9(2)6-16-12/h3-7H,1-2H3
InChIKeyIGPGKYPEGCOHDI-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.46
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone

(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone (PubChem CID 105095344) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
PubChem CID105095344
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)c2cc(F)ccc2C)cn1
InChIInChI=1S/C13H11FN2O/c1-8-3-4-10(14)5-11(8)13(17)12-7-15-9(2)6-16-12/h3-7H,1-2H3
InChIKeyIGPGKYPEGCOHDI-UHFFFAOYSA-N
XLogP2.46
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105704
(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195470
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
(5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone
CID 105095437
(5-fluoro-2-pyridinyl)-(2-methylphenyl)methanone
CID 79722365
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950058
(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone
CID 82685218
(5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone
CID 63948626
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone
CID 105094784

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone (CID 105095344) is (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)c2cc(F)ccc2C)cn1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone?
The InChIKey is IGPGKYPEGCOHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-8-3-4-10(14)5-11(8)13(17)12-7-15-9(2)6-16-12/h3-7H,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone?
(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone has a molecular weight of 230.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 105095344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).