5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine

C15H12FN3O3 — CID 67231170

IUPAC5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine
SMILESCCc1ccn2nccc(Oc3ccc([N+](=O)[O-])cc3F)c12
InChIInChI=1S/C15H12FN3O3/c1-2-10-6-8-18-15(10)14(5-7-17-18)22-13-4-3-11(19(20)21)9-12(13)16/h3-9H,2H2,1H3
InChIKeyFFURDUKGSHVNLB-UHFFFAOYSA-N
MW301.28 g/mol
LogP3.74
Rot. Bonds4

About 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine

5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine (PubChem CID 67231170) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine
PubChem CID67231170
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine
SMILESCCc1ccn2nccc(Oc3ccc([N+](=O)[O-])cc3F)c12
InChIInChI=1S/C15H12FN3O3/c1-2-10-6-8-18-15(10)14(5-7-17-18)22-13-4-3-11(19(20)21)9-12(13)16/h3-9H,2H2,1H3
InChIKeyFFURDUKGSHVNLB-UHFFFAOYSA-N
XLogP3.74
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine?
The IUPAC name of 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine (CID 67231170) is 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine is CCc1ccn2nccc(Oc3ccc([N+](=O)[O-])cc3F)c12.
What is the InChIKey of 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine?
The InChIKey is FFURDUKGSHVNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-2-10-6-8-18-15(10)14(5-7-17-18)22-13-4-3-11(19(20)21)9-12(13)16/h3-9H,2H2,1H3.
What are the key properties of 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine?
5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine has a molecular weight of 301.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 67231170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).