4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid

C17H12N2O3 — CID 86290236

IUPAC4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cncc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C17H12N2O3/c20-14-3-1-2-13(8-14)16-10-18-9-15(19-16)11-4-6-12(7-5-11)17(21)22/h1-10,20H,(H,21,22)
InChIKeyRUXBJTDGOHITBG-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.21
Rot. Bonds3

About 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid

4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid (PubChem CID 86290236) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
PubChem CID86290236
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cncc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C17H12N2O3/c20-14-3-1-2-13(8-14)16-10-18-9-15(19-16)11-4-6-12(7-5-11)17(21)22/h1-10,20H,(H,21,22)
InChIKeyRUXBJTDGOHITBG-UHFFFAOYSA-N
XLogP3.21
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid?
The IUPAC name of 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid (CID 86290236) is 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid?
The canonical SMILES for 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid is O=C(O)c1ccc(-c2cncc(-c3cccc(O)c3)n2)cc1.
What is the InChIKey of 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid?
The InChIKey is RUXBJTDGOHITBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-14-3-1-2-13(8-14)16-10-18-9-15(19-16)11-4-6-12(7-5-11)17(21)22/h1-10,20H,(H,21,22).
What are the key properties of 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid?
4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 86290236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).