7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one

C15H12FN3O2 — CID 84584400

IUPAC7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one
SMILESO=c1c2ncccc2cnn1CCOc1ccccc1F
InChIInChI=1S/C15H12FN3O2/c16-12-5-1-2-6-13(12)21-9-8-19-15(20)14-11(10-18-19)4-3-7-17-14/h1-7,10H,8-9H2
InChIKeyNGBMNTXTAGNMOD-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.01
Rot. Bonds4

About 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one

7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one (PubChem CID 84584400) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one
PubChem CID84584400
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one
SMILESO=c1c2ncccc2cnn1CCOc1ccccc1F
InChIInChI=1S/C15H12FN3O2/c16-12-5-1-2-6-13(12)21-9-8-19-15(20)14-11(10-18-19)4-3-7-17-14/h1-7,10H,8-9H2
InChIKeyNGBMNTXTAGNMOD-UHFFFAOYSA-N
XLogP2.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one (CID 84584400) is 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one is O=c1c2ncccc2cnn1CCOc1ccccc1F.
What is the InChIKey of 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one?
The InChIKey is NGBMNTXTAGNMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-5-1-2-6-13(12)21-9-8-19-15(20)14-11(10-18-19)4-3-7-17-14/h1-7,10H,8-9H2.
What are the key properties of 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one?
7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one has a molecular weight of 285.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 84584400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).