2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid

C13H9N3O3 — CID 80742082

IUPAC2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid
SMILESN#Cc1cnc(Oc2ccccc2CC(=O)O)cn1
InChIInChI=1S/C13H9N3O3/c14-6-10-7-16-12(8-15-10)19-11-4-2-1-3-9(11)5-13(17)18/h1-4,7-8H,5H2,(H,17,18)
InChIKeyICQPWTXSSINOBD-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.77
Rot. Bonds4

About 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid

2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid (PubChem CID 80742082) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid
PubChem CID80742082
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid
SMILESN#Cc1cnc(Oc2ccccc2CC(=O)O)cn1
InChIInChI=1S/C13H9N3O3/c14-6-10-7-16-12(8-15-10)19-11-4-2-1-3-9(11)5-13(17)18/h1-4,7-8H,5H2,(H,17,18)
InChIKeyICQPWTXSSINOBD-UHFFFAOYSA-N
XLogP1.77
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid (CID 80742082) is 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid is N#Cc1cnc(Oc2ccccc2CC(=O)O)cn1.
What is the InChIKey of 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid?
The InChIKey is ICQPWTXSSINOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c14-6-10-7-16-12(8-15-10)19-11-4-2-1-3-9(11)5-13(17)18/h1-4,7-8H,5H2,(H,17,18).
What are the key properties of 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid?
2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid has a molecular weight of 255.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 80742082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).