ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate

C9H12N2O4 — CID 134102292

IUPACethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(=O)[nH]n1
InChIInChI=1S/C9H12N2O4/c1-3-14-9(13)6(2)15-8-5-4-7(12)10-11-8/h4-6H,3H2,1-2H3,(H,10,12)
InChIKeyBWHOMEDHZBORPD-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.10
Rot. Bonds4

About ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate

ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate (PubChem CID 134102292) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate
PubChem CID134102292
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(=O)[nH]n1
InChIInChI=1S/C9H12N2O4/c1-3-14-9(13)6(2)15-8-5-4-7(12)10-11-8/h4-6H,3H2,1-2H3,(H,10,12)
InChIKeyBWHOMEDHZBORPD-UHFFFAOYSA-N
XLogP0.10
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-[[4-(bromomethyl)-2-pyridinyl]oxy]propanoate
CID 86732635
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
CID 59993707
CID 59993707
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate
CID 21162883
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propylamino]acetate
CID 54898620
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate?
The IUPAC name of ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate (CID 134102292) is ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate.
What is the SMILES notation for ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate?
The canonical SMILES for ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate is CCOC(=O)C(C)Oc1ccc(=O)[nH]n1.
What is the InChIKey of ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate?
The InChIKey is BWHOMEDHZBORPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-14-9(13)6(2)15-8-5-4-7(12)10-11-8/h4-6H,3H2,1-2H3,(H,10,12).
What are the key properties of ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate?
ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate has a molecular weight of 212.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate is sourced from PubChem (CID 134102292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).