ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate

C19H17BrN2O3 — CID 14531395

IUPACethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate
SMILESCCOC(=O)C1=NN(c2ccc(Br)cc2)C(c2ccccc2)CC1=O
InChIInChI=1S/C19H17BrN2O3/c1-2-25-19(24)18-17(23)12-16(13-6-4-3-5-7-13)22(21-18)15-10-8-14(20)9-11-15/h3-11,16H,2,12H2,1H3
InChIKeyJQIYSIDHBLDWRL-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.89
Rot. Bonds4

About ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate

ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate (PubChem CID 14531395) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate
PubChem CID14531395
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Nameethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate
SMILESCCOC(=O)C1=NN(c2ccc(Br)cc2)C(c2ccccc2)CC1=O
InChIInChI=1S/C19H17BrN2O3/c1-2-25-19(24)18-17(23)12-16(13-6-4-3-5-7-13)22(21-18)15-10-8-14(20)9-11-15/h3-11,16H,2,12H2,1H3
InChIKeyJQIYSIDHBLDWRL-UHFFFAOYSA-N
XLogP3.89
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate?
The IUPAC name of ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate (CID 14531395) is ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate?
The canonical SMILES for ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate is CCOC(=O)C1=NN(c2ccc(Br)cc2)C(c2ccccc2)CC1=O.
What is the InChIKey of ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate?
The InChIKey is JQIYSIDHBLDWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-2-25-19(24)18-17(23)12-16(13-6-4-3-5-7-13)22(21-18)15-10-8-14(20)9-11-15/h3-11,16H,2,12H2,1H3.
What are the key properties of ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate?
ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate has a molecular weight of 401.26 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)-5-oxo-3-phenyl-3,4-dihydropyridazine-6-carboxylate is sourced from PubChem (CID 14531395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).