methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate

C8H6FN3O2 — CID 170973299

IUPACmethyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCOC(=O)c1cn2nc(F)ccc2n1
InChIInChI=1S/C8H6FN3O2/c1-14-8(13)5-4-12-7(10-5)3-2-6(9)11-12/h2-4H,1H3
InChIKeyISLIEIUMQSMPLY-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.65
Rot. Bonds1

About methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate

methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 170973299) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID170973299
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Namemethyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCOC(=O)c1cn2nc(F)ccc2n1
InChIInChI=1S/C8H6FN3O2/c1-14-8(13)5-4-12-7(10-5)3-2-6(9)11-12/h2-4H,1H3
InChIKeyISLIEIUMQSMPLY-UHFFFAOYSA-N
XLogP0.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate (CID 170973299) is methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate is COC(=O)c1cn2nc(F)ccc2n1.
What is the InChIKey of methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is ISLIEIUMQSMPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/c1-14-8(13)5-4-12-7(10-5)3-2-6(9)11-12/h2-4H,1H3.
What are the key properties of methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate?
methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 195.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 170973299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).