5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine

C18H11ClFN3O — CID 141446367

IUPAC5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine
SMILESFc1ccccc1Oc1ccnn2ccc(-c3ccnc(Cl)c3)c12
InChIInChI=1S/C18H11ClFN3O/c19-17-11-12(5-8-21-17)13-7-10-23-18(13)16(6-9-22-23)24-15-4-2-1-3-14(15)20/h1-11H
InChIKeyIANAWSCTHOHVPY-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.98
Rot. Bonds3

About 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine

5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine (PubChem CID 141446367) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine
PubChem CID141446367
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC Name5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine
SMILESFc1ccccc1Oc1ccnn2ccc(-c3ccnc(Cl)c3)c12
InChIInChI=1S/C18H11ClFN3O/c19-17-11-12(5-8-21-17)13-7-10-23-18(13)16(6-9-22-23)24-15-4-2-1-3-14(15)20/h1-11H
InChIKeyIANAWSCTHOHVPY-UHFFFAOYSA-N
XLogP4.98
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine?
The IUPAC name of 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine (CID 141446367) is 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine is Fc1ccccc1Oc1ccnn2ccc(-c3ccnc(Cl)c3)c12.
What is the InChIKey of 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine?
The InChIKey is IANAWSCTHOHVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O/c19-17-11-12(5-8-21-17)13-7-10-23-18(13)16(6-9-22-23)24-15-4-2-1-3-14(15)20/h1-11H.
What are the key properties of 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine?
5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine has a molecular weight of 339.76 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 141446367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).