3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid

C12H10N2O4 — CID 63681353

IUPAC3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1ccccc1CO
InChIInChI=1S/C12H10N2O4/c15-7-8-3-1-2-4-9(8)18-11-10(12(16)17)13-5-6-14-11/h1-6,15H,7H2,(H,16,17)
InChIKeyYZGKQWWAAKBBJJ-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.46
Rot. Bonds4

About 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid

3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid (PubChem CID 63681353) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
PubChem CID63681353
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1ccccc1CO
InChIInChI=1S/C12H10N2O4/c15-7-8-3-1-2-4-9(8)18-11-10(12(16)17)13-5-6-14-11/h1-6,15H,7H2,(H,16,17)
InChIKeyYZGKQWWAAKBBJJ-UHFFFAOYSA-N
XLogP1.46
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid (CID 63681353) is 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1Oc1ccccc1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid?
The InChIKey is YZGKQWWAAKBBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-7-8-3-1-2-4-9(8)18-11-10(12(16)17)13-5-6-14-11/h1-6,15H,7H2,(H,16,17).
What are the key properties of 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid?
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63681353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).