ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate

C14H14N2O3 — CID 3240850

IUPACethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C14H14N2O3/c1-2-19-14(18)10-16-13(17)9-8-12(15-16)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyMFPRPULKPSOYTD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.47
Rot. Bonds4

About ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate

ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate (PubChem CID 3240850) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate
PubChem CID3240850
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C14H14N2O3/c1-2-19-14(18)10-16-13(17)9-8-12(15-16)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyMFPRPULKPSOYTD-UHFFFAOYSA-N
XLogP1.47
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate (CID 3240850) is ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate is CCOC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate?
The InChIKey is MFPRPULKPSOYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-14(18)10-16-13(17)9-8-12(15-16)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate?
ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate has a molecular weight of 258.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-3-phenylpyridazin-1-yl)acetate is sourced from PubChem (CID 3240850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).