5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid

C7H6N2O3 — CID 121315252

IUPAC5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid
SMILESC=C(O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C7H6N2O3/c1-4(10)5-2-9-6(3-8-5)7(11)12/h2-3,10H,1H2,(H,11,12)
InChIKeyUHSDAQWZWIVYBV-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.70
Rot. Bonds2

About 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid

5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid (PubChem CID 121315252) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid
PubChem CID121315252
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid
SMILESC=C(O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C7H6N2O3/c1-4(10)5-2-9-6(3-8-5)7(11)12/h2-3,10H,1H2,(H,11,12)
InChIKeyUHSDAQWZWIVYBV-UHFFFAOYSA-N
XLogP0.70
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid (CID 121315252) is 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid is C=C(O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid?
The InChIKey is UHSDAQWZWIVYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c1-4(10)5-2-9-6(3-8-5)7(11)12/h2-3,10H,1H2,(H,11,12).
What are the key properties of 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid?
5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid has a molecular weight of 166.14 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 121315252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).