2-(pyrazin-2-ylmethyl)phenol

C11H10N2O — CID 67682794

IUPAC2-(pyrazin-2-ylmethyl)phenol
SMILESOc1ccccc1Cc1cnccn1
InChIInChI=1S/C11H10N2O/c14-11-4-2-1-3-9(11)7-10-8-12-5-6-13-10/h1-6,8,14H,7H2
InChIKeyVBIKCXBCMZPPNY-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.77
Rot. Bonds2

About 2-(pyrazin-2-ylmethyl)phenol

2-(pyrazin-2-ylmethyl)phenol (PubChem CID 67682794) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethyl)phenol
PubChem CID67682794
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(pyrazin-2-ylmethyl)phenol
SMILESOc1ccccc1Cc1cnccn1
InChIInChI=1S/C11H10N2O/c14-11-4-2-1-3-9(11)7-10-8-12-5-6-13-10/h1-6,8,14H,7H2
InChIKeyVBIKCXBCMZPPNY-UHFFFAOYSA-N
XLogP1.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylmethyl)phenol?
The IUPAC name of 2-(pyrazin-2-ylmethyl)phenol (CID 67682794) is 2-(pyrazin-2-ylmethyl)phenol.
What is the SMILES notation for 2-(pyrazin-2-ylmethyl)phenol?
The canonical SMILES for 2-(pyrazin-2-ylmethyl)phenol is Oc1ccccc1Cc1cnccn1.
What is the InChIKey of 2-(pyrazin-2-ylmethyl)phenol?
The InChIKey is VBIKCXBCMZPPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11-4-2-1-3-9(11)7-10-8-12-5-6-13-10/h1-6,8,14H,7H2.
What are the key properties of 2-(pyrazin-2-ylmethyl)phenol?
2-(pyrazin-2-ylmethyl)phenol has a molecular weight of 186.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethyl)phenol is sourced from PubChem (CID 67682794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).