(2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate

C11H9N3O3 — CID 117213115

IUPAC(2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate
SMILESNc1cnc(C(=O)Oc2ccccc2O)cn1
InChIInChI=1S/C11H9N3O3/c12-10-6-13-7(5-14-10)11(16)17-9-4-2-1-3-8(9)15/h1-6,15H,(H2,12,14)
InChIKeyJYNCEAWXXNQPMG-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.98
Rot. Bonds2

About (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate

(2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate (PubChem CID 117213115) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate
PubChem CID117213115
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name(2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate
SMILESNc1cnc(C(=O)Oc2ccccc2O)cn1
InChIInChI=1S/C11H9N3O3/c12-10-6-13-7(5-14-10)11(16)17-9-4-2-1-3-8(9)15/h1-6,15H,(H2,12,14)
InChIKeyJYNCEAWXXNQPMG-UHFFFAOYSA-N
XLogP0.98
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 5-aminopyrazine-2-carboxylate
CID 117213165
(4-methylphenyl) 5-aminopyrazine-2-carboxylate
CID 117213160
(2-hydroxyphenyl) 5-amino-1,2-thiazole-4-carboxylate
CID 117213515
(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
CID 117214654
(2-hydroxyphenyl) 5-amino-2H-triazole-4-carboxylate
CID 117213949
(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate
CID 18074634
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
CID 173408230
CID 173408230
5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 113381822
5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211
(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate
CID 117215005

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate?
The IUPAC name of (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate (CID 117213115) is (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate.
What is the SMILES notation for (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate?
The canonical SMILES for (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate is Nc1cnc(C(=O)Oc2ccccc2O)cn1.
What is the InChIKey of (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate?
The InChIKey is JYNCEAWXXNQPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-10-6-13-7(5-14-10)11(16)17-9-4-2-1-3-8(9)15/h1-6,15H,(H2,12,14).
What are the key properties of (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate?
(2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate has a molecular weight of 231.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate is sourced from PubChem (CID 117213115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).