6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one

C19H17FN2O2 — CID 59400748

IUPAC6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(Cc2cccc(F)c2)nn(C)c1=O
InChIInChI=1S/C19H17FN2O2/c1-12-6-3-4-9-15(12)17-18(23)16(21-22(2)19(17)24)11-13-7-5-8-14(20)10-13/h3-10,23H,11H2,1-2H3
InChIKeyCXZHXUCHAJONQQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.19
Rot. Bonds3

About 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one

6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one (PubChem CID 59400748) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one
PubChem CID59400748
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(Cc2cccc(F)c2)nn(C)c1=O
InChIInChI=1S/C19H17FN2O2/c1-12-6-3-4-9-15(12)17-18(23)16(21-22(2)19(17)24)11-13-7-5-8-14(20)10-13/h3-10,23H,11H2,1-2H3
InChIKeyCXZHXUCHAJONQQ-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one (CID 59400748) is 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-c1c(O)c(Cc2cccc(F)c2)nn(C)c1=O.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one?
The InChIKey is CXZHXUCHAJONQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12-6-3-4-9-15(12)17-18(23)16(21-22(2)19(17)24)11-13-7-5-8-14(20)10-13/h3-10,23H,11H2,1-2H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one?
6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one has a molecular weight of 324.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 59400748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).