ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate

C15H17FN2O3 — CID 118871578

IUPACethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
SMILESCCOC(=O)CN1N=C(c2ccc(F)c(C)c2)CCC1=O
InChIInChI=1S/C15H17FN2O3/c1-3-21-15(20)9-18-14(19)7-6-13(17-18)11-4-5-12(16)10(2)8-11/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyHRTXGTJDKWWBCT-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.02
Rot. Bonds4

About ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate

ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate (PubChem CID 118871578) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
PubChem CID118871578
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Nameethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
SMILESCCOC(=O)CN1N=C(c2ccc(F)c(C)c2)CCC1=O
InChIInChI=1S/C15H17FN2O3/c1-3-21-15(20)9-18-14(19)7-6-13(17-18)11-4-5-12(16)10(2)8-11/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyHRTXGTJDKWWBCT-UHFFFAOYSA-N
XLogP2.02
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate (CID 118871578) is ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate is CCOC(=O)CN1N=C(c2ccc(F)c(C)c2)CCC1=O.
What is the InChIKey of ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
The InChIKey is HRTXGTJDKWWBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-3-21-15(20)9-18-14(19)7-6-13(17-18)11-4-5-12(16)10(2)8-11/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate has a molecular weight of 292.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate is sourced from PubChem (CID 118871578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).