7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine

C11H6ClFN4 — CID 71743461

IUPAC7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine
SMILESFc1ccc(-n2cc3cnnc(Cl)c3n2)cc1
InChIInChI=1S/C11H6ClFN4/c12-11-10-7(5-14-15-11)6-17(16-10)9-3-1-8(13)2-4-9/h1-6H
InChIKeySKMUEZSUSWKYPH-UHFFFAOYSA-N
MW248.65 g/mol
LogP2.61
Rot. Bonds1

About 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine

7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine (PubChem CID 71743461) has the molecular formula C11H6ClFN4 and a molecular weight of 248.65 g/mol. Its IUPAC name is 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine
PubChem CID71743461
Molecular FormulaC11H6ClFN4
Molecular Weight248.65 g/mol
Exact Mass248.03
IUPAC Name7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine
SMILESFc1ccc(-n2cc3cnnc(Cl)c3n2)cc1
InChIInChI=1S/C11H6ClFN4/c12-11-10-7(5-14-15-11)6-17(16-10)9-3-1-8(13)2-4-9/h1-6H
InChIKeySKMUEZSUSWKYPH-UHFFFAOYSA-N
XLogP2.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.65
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine (CID 71743461) is 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine is Fc1ccc(-n2cc3cnnc(Cl)c3n2)cc1.
What is the InChIKey of 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine?
The InChIKey is SKMUEZSUSWKYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4/c12-11-10-7(5-14-15-11)6-17(16-10)9-3-1-8(13)2-4-9/h1-6H.
What are the key properties of 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine?
7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine has a molecular weight of 248.65 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-fluorophenyl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 71743461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).