methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate

C20H17FN2O4 — CID 58072302

IUPACmethyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OCc3ccccc3)cc2F)cc(C)c1=O
InChIInChI=1S/C20H17FN2O4/c1-13-11-23(22-18(19(13)24)20(25)26-2)17-9-8-15(10-16(17)21)27-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyJZFNZNALHDPUEX-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.05
Rot. Bonds5

About methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate

methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate (PubChem CID 58072302) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
PubChem CID58072302
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Namemethyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OCc3ccccc3)cc2F)cc(C)c1=O
InChIInChI=1S/C20H17FN2O4/c1-13-11-23(22-18(19(13)24)20(25)26-2)17-9-8-15(10-16(17)21)27-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyJZFNZNALHDPUEX-UHFFFAOYSA-N
XLogP3.05
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate (CID 58072302) is methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate is COC(=O)c1nn(-c2ccc(OCc3ccccc3)cc2F)cc(C)c1=O.
What is the InChIKey of methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
The InChIKey is JZFNZNALHDPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-13-11-23(22-18(19(13)24)20(25)26-2)17-9-8-15(10-16(17)21)27-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 58072302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).