(3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate

C19H15FN2O3 — CID 33125854

IUPAC(3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OCc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C19H15FN2O3/c1-13-10-17(23)18(21-22(13)16-8-3-2-4-9-16)19(24)25-12-14-6-5-7-15(20)11-14/h2-11H,12H2,1H3
InChIKeyYMNZYNVOYGZYIR-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.04
Rot. Bonds4

About (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate

(3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 33125854) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID33125854
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name(3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OCc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C19H15FN2O3/c1-13-10-17(23)18(21-22(13)16-8-3-2-4-9-16)19(24)25-12-14-6-5-7-15(20)11-14/h2-11H,12H2,1H3
InChIKeyYMNZYNVOYGZYIR-UHFFFAOYSA-N
XLogP3.04
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate (CID 33125854) is (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate is Cc1cc(=O)c(C(=O)OCc2cccc(F)c2)nn1-c1ccccc1.
What is the InChIKey of (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is YMNZYNVOYGZYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-13-10-17(23)18(21-22(13)16-8-3-2-4-9-16)19(24)25-12-14-6-5-7-15(20)11-14/h2-11H,12H2,1H3.
What are the key properties of (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
(3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 33125854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).