3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one

C22H13F4N3O2 — CID 67217521

IUPAC3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one
SMILESCOc1cncc(-c2c(-c3ccccc3F)n[nH]c(=O)c2-c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C22H13F4N3O2/c1-31-13-6-11(9-27-10-13)18-20(19-16(25)7-12(23)8-17(19)26)22(30)29-28-21(18)14-4-2-3-5-15(14)24/h2-10H,1H3,(H,29,30)
InChIKeyBOQYCWLBVPPTPV-UHFFFAOYSA-N
MW427.36 g/mol
LogP4.73
Rot. Bonds4

About 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one

3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one (PubChem CID 67217521) has the molecular formula C22H13F4N3O2 and a molecular weight of 427.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one
PubChem CID67217521
Molecular FormulaC22H13F4N3O2
Molecular Weight427.36 g/mol
Exact Mass427.09
IUPAC Name3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one
SMILESCOc1cncc(-c2c(-c3ccccc3F)n[nH]c(=O)c2-c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C22H13F4N3O2/c1-31-13-6-11(9-27-10-13)18-20(19-16(25)7-12(23)8-17(19)26)22(30)29-28-21(18)14-4-2-3-5-15(14)24/h2-10H,1H3,(H,29,30)
InChIKeyBOQYCWLBVPPTPV-UHFFFAOYSA-N
XLogP4.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one (CID 67217521) is 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one is COc1cncc(-c2c(-c3ccccc3F)n[nH]c(=O)c2-c2c(F)cc(F)cc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one?
The InChIKey is BOQYCWLBVPPTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4N3O2/c1-31-13-6-11(9-27-10-13)18-20(19-16(25)7-12(23)8-17(19)26)22(30)29-28-21(18)14-4-2-3-5-15(14)24/h2-10H,1H3,(H,29,30).
What are the key properties of 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one?
3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one has a molecular weight of 427.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-(2,4,6-trifluorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 67217521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).