5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid

C12H8N2O5 — CID 117213155

IUPAC5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Oc2cccc(O)c2)cn1
InChIInChI=1S/C12H8N2O5/c15-7-2-1-3-8(4-7)19-12(18)10-6-13-9(5-14-10)11(16)17/h1-6,15H,(H,16,17)
InChIKeyQWFUKPMLRAVNKQ-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.10
Rot. Bonds3

About 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid

5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid (PubChem CID 117213155) has the molecular formula C12H8N2O5 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid
PubChem CID117213155
Molecular FormulaC12H8N2O5
Molecular Weight260.21 g/mol
Exact Mass260.04
IUPAC Name5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Oc2cccc(O)c2)cn1
InChIInChI=1S/C12H8N2O5/c15-7-2-1-3-8(4-7)19-12(18)10-6-13-9(5-14-10)11(16)17/h1-6,15H,(H,16,17)
InChIKeyQWFUKPMLRAVNKQ-UHFFFAOYSA-N
XLogP1.10
TPSA109.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid (CID 117213155) is 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)Oc2cccc(O)c2)cn1.
What is the InChIKey of 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid?
The InChIKey is QWFUKPMLRAVNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-7-2-1-3-8(4-7)19-12(18)10-6-13-9(5-14-10)11(16)17/h1-6,15H,(H,16,17).
What are the key properties of 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid?
5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid is sourced from PubChem (CID 117213155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).