2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid

C7H8N2O4 — CID 66957914

IUPAC2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid
SMILESCn1nccc(OCC(=O)O)c1=O
InChIInChI=1S/C7H8N2O4/c1-9-7(12)5(2-3-8-9)13-4-6(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyNPFBHENUJVQDTR-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.76
Rot. Bonds3

About 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid

2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid (PubChem CID 66957914) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid
PubChem CID66957914
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid
SMILESCn1nccc(OCC(=O)O)c1=O
InChIInChI=1S/C7H8N2O4/c1-9-7(12)5(2-3-8-9)13-4-6(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyNPFBHENUJVQDTR-UHFFFAOYSA-N
XLogP-0.76
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid?
The IUPAC name of 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid (CID 66957914) is 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid is Cn1nccc(OCC(=O)O)c1=O.
What is the InChIKey of 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid?
The InChIKey is NPFBHENUJVQDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-9-7(12)5(2-3-8-9)13-4-6(10)11/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid?
2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid has a molecular weight of 184.15 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxopyridazin-4-yl)oxyacetic acid is sourced from PubChem (CID 66957914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).