ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate

C12H16FN3O4 — CID 114393893

IUPACethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)C(F)n1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H16FN3O4/c1-2-20-12(18)11(13)16-10(17)7-9(8-14-16)15-3-5-19-6-4-15/h7-8,11H,2-6H2,1H3
InChIKeyLWXQHKKBAFEGLH-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.11
Rot. Bonds4

About ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate

ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate (PubChem CID 114393893) has the molecular formula C12H16FN3O4 and a molecular weight of 285.28 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
PubChem CID114393893
Molecular FormulaC12H16FN3O4
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC Nameethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)C(F)n1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H16FN3O4/c1-2-20-12(18)11(13)16-10(17)7-9(8-14-16)15-3-5-19-6-4-15/h7-8,11H,2-6H2,1H3
InChIKeyLWXQHKKBAFEGLH-UHFFFAOYSA-N
XLogP0.11
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
Ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate
CID 162727176
Ethyl 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate
CID 113579305
Ethyl 2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 113579338
Ethyl 2-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 113579346
Ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 114393854
2-Fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid
CID 114393892
Ethyl 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetate
CID 114393915
Ethyl 2-fluoro-2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114393937
2-Fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetic acid
CID 114393959

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate (CID 114393893) is ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate is CCOC(=O)C(F)n1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate?
The InChIKey is LWXQHKKBAFEGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-2-20-12(18)11(13)16-10(17)7-9(8-14-16)15-3-5-19-6-4-15/h7-8,11H,2-6H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate?
ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate has a molecular weight of 285.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 114393893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).