2-methyl-3-phenoxypyrazine

C11H10N2O — CID 522970

IUPAC2-methyl-3-phenoxypyrazine
SMILESCc1nccnc1Oc1ccccc1
InChIInChI=1S/C11H10N2O/c1-9-11(13-8-7-12-9)14-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyACDOXXMFLCWEPV-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.58
Rot. Bonds2

About 2-methyl-3-phenoxypyrazine

2-methyl-3-phenoxypyrazine (PubChem CID 522970) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-methyl-3-phenoxypyrazine.

Molecular Properties

Compound Name2-methyl-3-phenoxypyrazine
PubChem CID522970
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-methyl-3-phenoxypyrazine
SMILESCc1nccnc1Oc1ccccc1
InChIInChI=1S/C11H10N2O/c1-9-11(13-8-7-12-9)14-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyACDOXXMFLCWEPV-UHFFFAOYSA-N
XLogP2.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenoxypyrazine?
The IUPAC name of 2-methyl-3-phenoxypyrazine (CID 522970) is 2-methyl-3-phenoxypyrazine.
What is the SMILES notation for 2-methyl-3-phenoxypyrazine?
The canonical SMILES for 2-methyl-3-phenoxypyrazine is Cc1nccnc1Oc1ccccc1.
What is the InChIKey of 2-methyl-3-phenoxypyrazine?
The InChIKey is ACDOXXMFLCWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-11(13-8-7-12-9)14-10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 2-methyl-3-phenoxypyrazine?
2-methyl-3-phenoxypyrazine has a molecular weight of 186.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenoxypyrazine is sourced from PubChem (CID 522970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).