1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid

C7H8N2O4 — CID 28603375

IUPAC1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCO)n1
InChIInChI=1S/C7H8N2O4/c10-4-3-9-6(11)2-1-5(8-9)7(12)13/h1-2,10H,3-4H2,(H,12,13)
InChIKeyHDFJOCZKGQROIK-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.07
Rot. Bonds3

About 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid

1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 28603375) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID28603375
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCO)n1
InChIInChI=1S/C7H8N2O4/c10-4-3-9-6(11)2-1-5(8-9)7(12)13/h1-2,10H,3-4H2,(H,12,13)
InChIKeyHDFJOCZKGQROIK-UHFFFAOYSA-N
XLogP-1.07
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid (CID 28603375) is 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CCO)n1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is HDFJOCZKGQROIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-4-3-9-6(11)2-1-5(8-9)7(12)13/h1-2,10H,3-4H2,(H,12,13).
What are the key properties of 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid?
1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 28603375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).