ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate

C20H17FN2O4 — CID 7386795

IUPACethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccccc1
InChIInChI=1S/C20H17FN2O4/c1-2-26-20(25)19-17(27-13-14-6-4-3-5-7-14)12-18(24)23(22-19)16-10-8-15(21)9-11-16/h3-12H,2,13H2,1H3
InChIKeyHGMLJBWDBINXAK-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.13
Rot. Bonds6

About ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate

ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate (PubChem CID 7386795) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate
PubChem CID7386795
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Nameethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccccc1
InChIInChI=1S/C20H17FN2O4/c1-2-26-20(25)19-17(27-13-14-6-4-3-5-7-14)12-18(24)23(22-19)16-10-8-15(21)9-11-16/h3-12H,2,13H2,1H3
InChIKeyHGMLJBWDBINXAK-UHFFFAOYSA-N
XLogP3.13
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.13
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)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate (CID 7386795) is ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccccc1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate?
The InChIKey is HGMLJBWDBINXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-2-26-20(25)19-17(27-13-14-6-4-3-5-7-14)12-18(24)23(22-19)16-10-8-15(21)9-11-16/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate?
ethyl 1-(4-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 3.13, 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)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate is sourced from PubChem (CID 7386795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).