3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile

C11H7N3O2 — CID 62685184

IUPAC3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccccc1O
InChIInChI=1S/C11H7N3O2/c12-7-8-11(14-6-5-13-8)16-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyGLDDUHFNMKZVSC-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.85
Rot. Bonds2

About 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile

3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile (PubChem CID 62685184) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile
PubChem CID62685184
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccccc1O
InChIInChI=1S/C11H7N3O2/c12-7-8-11(14-6-5-13-8)16-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyGLDDUHFNMKZVSC-UHFFFAOYSA-N
XLogP1.85
TPSA79.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile (CID 62685184) is 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile?
The InChIKey is GLDDUHFNMKZVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-7-8-11(14-6-5-13-8)16-10-4-2-1-3-9(10)15/h1-6,15H.
What are the key properties of 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile?
3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile has a molecular weight of 213.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 62685184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).