methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate

C7H8N2O4 — CID 57024554

IUPACmethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(O)cc1=O
InChIInChI=1S/C7H8N2O4/c1-13-7(12)4-9-6(11)2-5(10)3-8-9/h2-3,10H,4H2,1H3
InChIKeyWHZZONYGFMQWSR-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.88
Rot. Bonds2

About methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate

methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate (PubChem CID 57024554) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
PubChem CID57024554
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Namemethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(O)cc1=O
InChIInChI=1S/C7H8N2O4/c1-13-7(12)4-9-6(11)2-5(10)3-8-9/h2-3,10H,4H2,1H3
InChIKeyWHZZONYGFMQWSR-UHFFFAOYSA-N
XLogP-0.88
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(6-oxohydropyridazinyl)acetate
CID 46786410
2-(2-Ethoxyethyl)-5-hydroxypyridazin-3-one
CID 57059473
5-Hydroxy-2-(2-methoxyethyl)pyridazin-3-one
CID 57066440
Ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
CID 57119606
2-(4-Hydroxy-6-oxopyridazin-1-yl)acetic acid
CID 57300311
2-(4-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 66939440
Methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548424

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate (CID 57024554) is methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate is COC(=O)Cn1ncc(O)cc1=O.
What is the InChIKey of methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate?
The InChIKey is WHZZONYGFMQWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-13-7(12)4-9-6(11)2-5(10)3-8-9/h2-3,10H,4H2,1H3.
What are the key properties of methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate?
methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate has a molecular weight of 184.15 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 57024554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).