ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate

C15H17FN2O3 — CID 66634167

IUPACethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate
SMILESCCOC(=O)CCC1=NN(c2ccccc2F)C(=O)CC1
InChIInChI=1S/C15H17FN2O3/c1-2-21-15(20)10-8-11-7-9-14(19)18(17-11)13-6-4-3-5-12(13)16/h3-6H,2,7-10H2,1H3
InChIKeyMXJVIALCOXDTBD-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.65
Rot. Bonds5

About ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate

ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate (PubChem CID 66634167) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate
PubChem CID66634167
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Nameethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate
SMILESCCOC(=O)CCC1=NN(c2ccccc2F)C(=O)CC1
InChIInChI=1S/C15H17FN2O3/c1-2-21-15(20)10-8-11-7-9-14(19)18(17-11)13-6-4-3-5-12(13)16/h3-6H,2,7-10H2,1H3
InChIKeyMXJVIALCOXDTBD-UHFFFAOYSA-N
XLogP2.65
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate?
The IUPAC name of ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate (CID 66634167) is ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate?
The canonical SMILES for ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate is CCOC(=O)CCC1=NN(c2ccccc2F)C(=O)CC1.
What is the InChIKey of ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate?
The InChIKey is MXJVIALCOXDTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-2-21-15(20)10-8-11-7-9-14(19)18(17-11)13-6-4-3-5-12(13)16/h3-6H,2,7-10H2,1H3.
What are the key properties of ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate?
ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate has a molecular weight of 292.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazin-3-yl]propanoate is sourced from PubChem (CID 66634167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).