2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine

C20H14FN3O — CID 46205831

IUPAC2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine
SMILESCc1ccccc1-c1nncc2nc(Oc3ccc(F)cc3)ccc12
InChIInChI=1S/C20H14FN3O/c1-13-4-2-3-5-16(13)20-17-10-11-19(23-18(17)12-22-24-20)25-15-8-6-14(21)7-9-15/h2-12H,1H3
InChIKeyRVPKALXSSTZFEW-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.93
Rot. Bonds3

About 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine

2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine (PubChem CID 46205831) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine
PubChem CID46205831
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine
SMILESCc1ccccc1-c1nncc2nc(Oc3ccc(F)cc3)ccc12
InChIInChI=1S/C20H14FN3O/c1-13-4-2-3-5-16(13)20-17-10-11-19(23-18(17)12-22-24-20)25-15-8-6-14(21)7-9-15/h2-12H,1H3
InChIKeyRVPKALXSSTZFEW-UHFFFAOYSA-N
XLogP4.93
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine?
The IUPAC name of 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine (CID 46205831) is 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine.
What is the SMILES notation for 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine?
The canonical SMILES for 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine is Cc1ccccc1-c1nncc2nc(Oc3ccc(F)cc3)ccc12.
What is the InChIKey of 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine?
The InChIKey is RVPKALXSSTZFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c1-13-4-2-3-5-16(13)20-17-10-11-19(23-18(17)12-22-24-20)25-15-8-6-14(21)7-9-15/h2-12H,1H3.
What are the key properties of 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine?
2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine has a molecular weight of 331.35 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine is sourced from PubChem (CID 46205831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).