methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

C14H11F3N2O4 — CID 59436268

IUPACmethyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc(OC)c1=O
InChIInChI=1S/C14H11F3N2O4/c1-22-10-7-19(18-11(12(10)20)13(21)23-2)9-5-3-4-8(6-9)14(15,16)17/h3-7H,1-2H3
InChIKeyXECXAQQBENSQRX-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.05
Rot. Bonds3

About methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate (PubChem CID 59436268) has the molecular formula C14H11F3N2O4 and a molecular weight of 328.25 g/mol. Its IUPAC name is methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
PubChem CID59436268
Molecular FormulaC14H11F3N2O4
Molecular Weight328.25 g/mol
Exact Mass328.07
IUPAC Namemethyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc(OC)c1=O
InChIInChI=1S/C14H11F3N2O4/c1-22-10-7-19(18-11(12(10)20)13(21)23-2)9-5-3-4-8(6-9)14(15,16)17/h3-7H,1-2H3
InChIKeyXECXAQQBENSQRX-UHFFFAOYSA-N
XLogP2.05
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The IUPAC name of methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate (CID 59436268) is methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate is COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc(OC)c1=O.
What is the InChIKey of methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The InChIKey is XECXAQQBENSQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O4/c1-22-10-7-19(18-11(12(10)20)13(21)23-2)9-5-3-4-8(6-9)14(15,16)17/h3-7H,1-2H3.
What are the key properties of methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate has a molecular weight of 328.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate is sourced from PubChem (CID 59436268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).