6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride

C11H10ClFN4O — CID 146415973

IUPAC6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc2ccc(N3CCC(F)C3)nn12
InChIInChI=1S/C11H10ClFN4O/c12-11(18)8-5-14-9-1-2-10(15-17(8)9)16-4-3-7(13)6-16/h1-2,5,7H,3-4,6H2
InChIKeyZCAXTGGKHGMMOX-UHFFFAOYSA-N
MW268.68 g/mol
LogP1.66
Rot. Bonds2

About 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride

6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride (PubChem CID 146415973) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride
PubChem CID146415973
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc2ccc(N3CCC(F)C3)nn12
InChIInChI=1S/C11H10ClFN4O/c12-11(18)8-5-14-9-1-2-10(15-17(8)9)16-4-3-7(13)6-16/h1-2,5,7H,3-4,6H2
InChIKeyZCAXTGGKHGMMOX-UHFFFAOYSA-N
XLogP1.66
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride?
The IUPAC name of 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride (CID 146415973) is 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride.
What is the SMILES notation for 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride?
The canonical SMILES for 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride is O=C(Cl)c1cnc2ccc(N3CCC(F)C3)nn12.
What is the InChIKey of 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride?
The InChIKey is ZCAXTGGKHGMMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c12-11(18)8-5-14-9-1-2-10(15-17(8)9)16-4-3-7(13)6-16/h1-2,5,7H,3-4,6H2.
What are the key properties of 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride?
6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride has a molecular weight of 268.68 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride is sourced from PubChem (CID 146415973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).