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

C8H9FN2O3 — CID 162727176

IUPACethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(F)cc1=O
InChIInChI=1S/C8H9FN2O3/c1-2-14-8(13)5-11-7(12)3-6(9)4-10-11/h3-4H,2,5H2,1H3
InChIKeyQNJJTZWYPQAEQS-UHFFFAOYSA-N
MW200.17 g/mol
LogP-0.05
Rot. Bonds3

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

ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate (PubChem CID 162727176) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate
PubChem CID162727176
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Nameethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(F)cc1=O
InChIInChI=1S/C8H9FN2O3/c1-2-14-8(13)5-11-7(12)3-6(9)4-10-11/h3-4H,2,5H2,1H3
InChIKeyQNJJTZWYPQAEQS-UHFFFAOYSA-N
XLogP-0.05
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetate
CID 70449857
Ethyl 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetate
CID 162727588
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate
CID 162727608
Ethyl 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 162727852
Ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 162727996
ethyl (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 175703301
ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 175703327
Ethyl (6-oxopyridazin-1(6H)-yl)acetate
CID 45496282
Ethyl 2-fluoro-2-(6-oxopyridazin-1-yl)acetate
CID 81296975
Ethyl 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548439
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate (CID 162727176) is ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate is CCOC(=O)Cn1ncc(F)cc1=O.
What is the InChIKey of ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate?
The InChIKey is QNJJTZWYPQAEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-2-14-8(13)5-11-7(12)3-6(9)4-10-11/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate?
ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate has a molecular weight of 200.17 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 162727176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).