3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid

C10H12N2O4 — CID 62703281

IUPAC3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1OCC1CCOC1
InChIInChI=1S/C10H12N2O4/c13-10(14)8-9(12-3-2-11-8)16-6-7-1-4-15-5-7/h2-3,7H,1,4-6H2,(H,13,14)
InChIKeyHFMPENQEGAXLAR-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.59
Rot. Bonds4

About 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid

3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid (PubChem CID 62703281) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid
PubChem CID62703281
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1OCC1CCOC1
InChIInChI=1S/C10H12N2O4/c13-10(14)8-9(12-3-2-11-8)16-6-7-1-4-15-5-7/h2-3,7H,1,4-6H2,(H,13,14)
InChIKeyHFMPENQEGAXLAR-UHFFFAOYSA-N
XLogP0.59
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid (CID 62703281) is 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1OCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid?
The InChIKey is HFMPENQEGAXLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-10(14)8-9(12-3-2-11-8)16-6-7-1-4-15-5-7/h2-3,7H,1,4-6H2,(H,13,14).
What are the key properties of 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid?
3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62703281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).