methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate

C8H9FN2O3 — CID 139512250

IUPACmethyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CCF)n1
InChIInChI=1S/C8H9FN2O3/c1-14-8(13)6-2-3-7(12)11(10-6)5-4-9/h2-3H,4-5H2,1H3
InChIKeyNJFXNKYHIVFTGR-UHFFFAOYSA-N
MW200.17 g/mol
LogP-0.00
Rot. Bonds3

About methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate

methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate (PubChem CID 139512250) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate
PubChem CID139512250
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Namemethyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CCF)n1
InChIInChI=1S/C8H9FN2O3/c1-14-8(13)6-2-3-7(12)11(10-6)5-4-9/h2-3H,4-5H2,1H3
InChIKeyNJFXNKYHIVFTGR-UHFFFAOYSA-N
XLogP-0.00
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 ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate (CID 139512250) is methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate is COC(=O)c1ccc(=O)n(CCF)n1.
What is the InChIKey of methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate?
The InChIKey is NJFXNKYHIVFTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-14-8(13)6-2-3-7(12)11(10-6)5-4-9/h2-3H,4-5H2,1H3.
What are the key properties of methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate?
methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate has a molecular weight of 200.17 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 139512250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).