methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate

C15H15FN2O3 — CID 7664381

IUPACmethyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate
SMILESCC[C@@H](C(=O)OC)n1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C15H15FN2O3/c1-3-13(15(20)21-2)18-14(19)9-8-12(17-18)10-4-6-11(16)7-5-10/h4-9,13H,3H2,1-2H3/t13-/m0/s1
InChIKeyHFQYAANWRIKTLQ-ZDUSSCGKSA-N
MW290.29 g/mol
LogP2.17
Rot. Bonds4

About methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate

methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate (PubChem CID 7664381) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate
PubChem CID7664381
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Namemethyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate
SMILESCC[C@@H](C(=O)OC)n1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C15H15FN2O3/c1-3-13(15(20)21-2)18-14(19)9-8-12(17-18)10-4-6-11(16)7-5-10/h4-9,13H,3H2,1-2H3/t13-/m0/s1
InChIKeyHFQYAANWRIKTLQ-ZDUSSCGKSA-N
XLogP2.17
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate?
The IUPAC name of methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate (CID 7664381) is methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate.
What is the SMILES notation for methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate?
The canonical SMILES for methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate is CC[C@@H](C(=O)OC)n1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate?
The InChIKey is HFQYAANWRIKTLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-3-13(15(20)21-2)18-14(19)9-8-12(17-18)10-4-6-11(16)7-5-10/h4-9,13H,3H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate?
methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate has a molecular weight of 290.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoate is sourced from PubChem (CID 7664381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).