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

C8H10N2O4 — CID 57119606

IUPACethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(O)cc1=O
InChIInChI=1S/C8H10N2O4/c1-2-14-8(13)5-10-7(12)3-6(11)4-9-10/h3-4,11H,2,5H2,1H3
InChIKeyYTSLNSSIFRMPSZ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.49
Rot. Bonds3

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

ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate (PubChem CID 57119606) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
PubChem CID57119606
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(O)cc1=O
InChIInChI=1S/C8H10N2O4/c1-2-14-8(13)5-10-7(12)3-6(11)4-9-10/h3-4,11H,2,5H2,1H3
InChIKeyYTSLNSSIFRMPSZ-UHFFFAOYSA-N
XLogP-0.49
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate
CID 162727176
Ethyl (6-oxopyridazin-1(6H)-yl)acetate
CID 45496282
Methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
CID 57024554
2-(2-Ethoxyethyl)-5-hydroxypyridazin-3-one
CID 57059473
5-Hydroxy-2-(2-methoxyethyl)pyridazin-3-one
CID 57066440
2-(4-Hydroxy-6-oxopyridazin-1-yl)acetic acid
CID 57300311
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
ethyl [4-methyl-6-oxopyridazin-1(6H)-yl]acetate
CID 77231410
Ethyl 2-(4-chloro-6-oxopyridazin-1-yl)acetate
CID 162727389
Propan-2-yl 2-(6-oxopyridazin-1-yl)acetate
CID 62849244
Butyl 2-(6-oxopyridazin-1-yl)acetate
CID 62849245
Propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548408

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate (CID 57119606) is ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate is CCOC(=O)Cn1ncc(O)cc1=O.
What is the InChIKey of ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate?
The InChIKey is YTSLNSSIFRMPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-14-8(13)5-10-7(12)3-6(11)4-9-10/h3-4,11H,2,5H2,1H3.
What are the key properties of ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate?
ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 57119606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).