ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate

C15H12FN3O3 — CID 2815678

IUPACethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3cccc(F)c3)ccc2n1
InChIInChI=1S/C15H12FN3O3/c1-2-21-15(20)12-9-19-13(17-12)6-7-14(18-19)22-11-5-3-4-10(16)8-11/h3-9H,2H2,1H3
InChIKeyIKPHJIMTRJYQSP-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.84
Rot. Bonds4

About ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate

ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815678) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815678
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Nameethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3cccc(F)c3)ccc2n1
InChIInChI=1S/C15H12FN3O3/c1-2-21-15(20)12-9-19-13(17-12)6-7-14(18-19)22-11-5-3-4-10(16)8-11/h3-9H,2H2,1H3
InChIKeyIKPHJIMTRJYQSP-UHFFFAOYSA-N
XLogP2.84
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815681
Ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate
CID 2815683
Ethyl 6-[4-(methoxycarbonyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815687
Ethyl 6-[4-(acetylamino)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815684
US10246466, Example 42
CID 118256553
2-(4-Fluorophenoxy)ethyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2570053
6-(4-Methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester
CID 2815679
Ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815680
Ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815682
methyl 4H-imidazo-[2,1-c][1,4]-benzoxazine-2-carboxylate
CID 12909280
2-Phenoxyethyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2364141
(3R)-6-fluoro-3-methyl-10-oxa-2,13,17,21,22-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one
CID 171342999

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (CID 2815678) is ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3cccc(F)c3)ccc2n1.
What is the InChIKey of ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is IKPHJIMTRJYQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-2-21-15(20)12-9-19-13(17-12)6-7-14(18-19)22-11-5-3-4-10(16)8-11/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 301.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).