ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate

C20H16F2N2O4 — CID 7386805

IUPACethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1cccc(F)c1
InChIInChI=1S/C20H16F2N2O4/c1-2-27-20(26)19-17(28-12-13-4-3-5-15(22)10-13)11-18(25)24(23-19)16-8-6-14(21)7-9-16/h3-11H,2,12H2,1H3
InChIKeyCMBNZMUYKBFNFU-UHFFFAOYSA-N
MW386.35 g/mol
LogP3.27
Rot. Bonds6

About ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate

ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate (PubChem CID 7386805) has the molecular formula C20H16F2N2O4 and a molecular weight of 386.35 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate
PubChem CID7386805
Molecular FormulaC20H16F2N2O4
Molecular Weight386.35 g/mol
Exact Mass386.11
IUPAC Nameethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1cccc(F)c1
InChIInChI=1S/C20H16F2N2O4/c1-2-27-20(26)19-17(28-12-13-4-3-5-15(22)10-13)11-18(25)24(23-19)16-8-6-14(21)7-9-16/h3-11H,2,12H2,1H3
InChIKeyCMBNZMUYKBFNFU-UHFFFAOYSA-N
XLogP3.27
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate (CID 7386805) is ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1cccc(F)c1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate?
The InChIKey is CMBNZMUYKBFNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4/c1-2-27-20(26)19-17(28-12-13-4-3-5-15(22)10-13)11-18(25)24(23-19)16-8-6-14(21)7-9-16/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate?
ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate has a molecular weight of 386.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 7386805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).