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

C15H12FN3O2 — CID 72698673

IUPACethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2F)nc2cccnn12
InChIInChI=1S/C15H12FN3O2/c1-2-21-15(20)14-13(10-6-3-4-7-11(10)16)18-12-8-5-9-17-19(12)14/h3-9H,2H2,1H3
InChIKeySMKJSHWKDDWKMH-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.71
Rot. Bonds3

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

ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 72698673) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID72698673
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Nameethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2F)nc2cccnn12
InChIInChI=1S/C15H12FN3O2/c1-2-21-15(20)14-13(10-6-3-4-7-11(10)16)18-12-8-5-9-17-19(12)14/h3-9H,2H2,1H3
InChIKeySMKJSHWKDDWKMH-UHFFFAOYSA-N
XLogP2.71
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate (CID 72698673) is ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2F)nc2cccnn12.
What is the InChIKey of ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is SMKJSHWKDDWKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-2-21-15(20)14-13(10-6-3-4-7-11(10)16)18-12-8-5-9-17-19(12)14/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 285.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 72698673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).