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

C20H13F2N3O — CID 45136861

IUPAC2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine
SMILESCc1ccccc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12
InChIInChI=1S/C20H13F2N3O/c1-12-4-2-3-5-14(12)20-15-7-9-19(24-17(15)11-23-25-20)26-18-8-6-13(21)10-16(18)22/h2-11H,1H3
InChIKeyVXPNERZOGCAETM-UHFFFAOYSA-N
MW349.34 g/mol
LogP5.07
Rot. Bonds3

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

2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine (PubChem CID 45136861) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine
PubChem CID45136861
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine
SMILESCc1ccccc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12
InChIInChI=1S/C20H13F2N3O/c1-12-4-2-3-5-14(12)20-15-7-9-19(24-17(15)11-23-25-20)26-18-8-6-13(21)10-16(18)22/h2-11H,1H3
InChIKeyVXPNERZOGCAETM-UHFFFAOYSA-N
XLogP5.07
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine?
The IUPAC name of 2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine (CID 45136861) is 2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine?
The canonical SMILES for 2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine is Cc1ccccc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12.
What is the InChIKey of 2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine?
The InChIKey is VXPNERZOGCAETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c1-12-4-2-3-5-14(12)20-15-7-9-19(24-17(15)11-23-25-20)26-18-8-6-13(21)10-16(18)22/h2-11H,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine?
2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine has a molecular weight of 349.34 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine is sourced from PubChem (CID 45136861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).