6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid

C9H10N2O4 — CID 117212967

IUPAC6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid
SMILESCC(C)OC(=O)c1cncc(C(=O)O)n1
InChIInChI=1S/C9H10N2O4/c1-5(2)15-9(14)7-4-10-3-6(11-7)8(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyZDLVENXLHRDVTB-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.74
Rot. Bonds3

About 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid

6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid (PubChem CID 117212967) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid
PubChem CID117212967
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid
SMILESCC(C)OC(=O)c1cncc(C(=O)O)n1
InChIInChI=1S/C9H10N2O4/c1-5(2)15-9(14)7-4-10-3-6(11-7)8(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyZDLVENXLHRDVTB-UHFFFAOYSA-N
XLogP0.74
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid?
The IUPAC name of 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid (CID 117212967) is 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid is CC(C)OC(=O)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid?
The InChIKey is ZDLVENXLHRDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5(2)15-9(14)7-4-10-3-6(11-7)8(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid?
6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid is sourced from PubChem (CID 117212967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).