6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one

C19H17FN2O3 — CID 7659905

IUPAC6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1OC
InChIInChI=1S/C19H17FN2O3/c1-24-17-8-6-14(11-18(17)25-2)16-7-9-19(23)22(21-16)12-13-4-3-5-15(20)10-13/h3-11H,12H2,1-2H3
InChIKeyLWTVHLFRKFPCAS-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.11
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one

6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 7659905) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
PubChem CID7659905
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1OC
InChIInChI=1S/C19H17FN2O3/c1-24-17-8-6-14(11-18(17)25-2)16-7-9-19(23)22(21-16)12-13-4-3-5-15(20)10-13/h3-11H,12H2,1-2H3
InChIKeyLWTVHLFRKFPCAS-UHFFFAOYSA-N
XLogP3.11
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one (CID 7659905) is 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is LWTVHLFRKFPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-24-17-8-6-14(11-18(17)25-2)16-7-9-19(23)22(21-16)12-13-4-3-5-15(20)10-13/h3-11H,12H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 340.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 7659905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).