3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile

C12H6F3N3O — CID 2821109

IUPAC3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)8-2-1-3-9(6-8)19-11-10(7-16)17-4-5-18-11/h1-6H
InChIKeyMKJNUOJXWUIYTN-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.16
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile

3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile (PubChem CID 2821109) has the molecular formula C12H6F3N3O and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
PubChem CID2821109
Molecular FormulaC12H6F3N3O
Molecular Weight265.19 g/mol
Exact Mass265.05
IUPAC Name3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)8-2-1-3-9(6-8)19-11-10(7-16)17-4-5-18-11/h1-6H
InChIKeyMKJNUOJXWUIYTN-UHFFFAOYSA-N
XLogP3.16
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile (CID 2821109) is 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile?
The InChIKey is MKJNUOJXWUIYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O/c13-12(14,15)8-2-1-3-9(6-8)19-11-10(7-16)17-4-5-18-11/h1-6H.
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile?
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile has a molecular weight of 265.19 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 2821109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).