5-fluoro-2-methyl-3-phenylmethoxypyrazine

C12H11FN2O — CID 122543840

IUPAC5-fluoro-2-methyl-3-phenylmethoxypyrazine
SMILESCc1ncc(F)nc1OCc1ccccc1
InChIInChI=1S/C12H11FN2O/c1-9-12(15-11(13)7-14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyWCPARAIVHPNDOF-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.50
Rot. Bonds3

About 5-fluoro-2-methyl-3-phenylmethoxypyrazine

5-fluoro-2-methyl-3-phenylmethoxypyrazine (PubChem CID 122543840) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3-phenylmethoxypyrazine.

Molecular Properties

Compound Name5-fluoro-2-methyl-3-phenylmethoxypyrazine
PubChem CID122543840
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-fluoro-2-methyl-3-phenylmethoxypyrazine
SMILESCc1ncc(F)nc1OCc1ccccc1
InChIInChI=1S/C12H11FN2O/c1-9-12(15-11(13)7-14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyWCPARAIVHPNDOF-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3-phenylmethoxypyrazine?
The IUPAC name of 5-fluoro-2-methyl-3-phenylmethoxypyrazine (CID 122543840) is 5-fluoro-2-methyl-3-phenylmethoxypyrazine.
What is the SMILES notation for 5-fluoro-2-methyl-3-phenylmethoxypyrazine?
The canonical SMILES for 5-fluoro-2-methyl-3-phenylmethoxypyrazine is Cc1ncc(F)nc1OCc1ccccc1.
What is the InChIKey of 5-fluoro-2-methyl-3-phenylmethoxypyrazine?
The InChIKey is WCPARAIVHPNDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-9-12(15-11(13)7-14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 5-fluoro-2-methyl-3-phenylmethoxypyrazine?
5-fluoro-2-methyl-3-phenylmethoxypyrazine has a molecular weight of 218.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3-phenylmethoxypyrazine is sourced from PubChem (CID 122543840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).