3-(4-chlorophenoxy)pyrazine-2-carbonitrile

C11H6ClN3O — CID 2822048

IUPAC3-(4-chlorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C11H6ClN3O/c12-8-1-3-9(4-2-8)16-11-10(7-13)14-5-6-15-11/h1-6H
InChIKeyYVSOONNTGHVNGY-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.79
Rot. Bonds2

About 3-(4-chlorophenoxy)pyrazine-2-carbonitrile

3-(4-chlorophenoxy)pyrazine-2-carbonitrile (PubChem CID 2822048) has the molecular formula C11H6ClN3O and a molecular weight of 231.64 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenoxy)pyrazine-2-carbonitrile
PubChem CID2822048
Molecular FormulaC11H6ClN3O
Molecular Weight231.64 g/mol
Exact Mass231.02
IUPAC Name3-(4-chlorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C11H6ClN3O/c12-8-1-3-9(4-2-8)16-11-10(7-13)14-5-6-15-11/h1-6H
InChIKeyYVSOONNTGHVNGY-UHFFFAOYSA-N
XLogP2.79
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-chlorophenoxy)pyrazine-2-carbonitrile (CID 2822048) is 3-(4-chlorophenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-chlorophenoxy)pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)pyrazine-2-carbonitrile?
The InChIKey is YVSOONNTGHVNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O/c12-8-1-3-9(4-2-8)16-11-10(7-13)14-5-6-15-11/h1-6H.
What are the key properties of 3-(4-chlorophenoxy)pyrazine-2-carbonitrile?
3-(4-chlorophenoxy)pyrazine-2-carbonitrile has a molecular weight of 231.64 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 2822048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).