ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate

C21H17N3O2 — CID 142738029

IUPACethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate
SMILESCCOC(=O)C(=[N+]=[N-])c1cc(-c2ccccc2)ccc1-c1ccccn1
InChIInChI=1S/C21H17N3O2/c1-2-26-21(25)20(24-22)18-14-16(15-8-4-3-5-9-15)11-12-17(18)19-10-6-7-13-23-19/h3-14H,2H2,1H3
InChIKeyJFDBTQKMCARSLF-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.00
Rot. Bonds5

About ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate

ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate (PubChem CID 142738029) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate
PubChem CID142738029
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Nameethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate
SMILESCCOC(=O)C(=[N+]=[N-])c1cc(-c2ccccc2)ccc1-c1ccccn1
InChIInChI=1S/C21H17N3O2/c1-2-26-21(25)20(24-22)18-14-16(15-8-4-3-5-9-15)11-12-17(18)19-10-6-7-13-23-19/h3-14H,2H2,1H3
InChIKeyJFDBTQKMCARSLF-UHFFFAOYSA-N
XLogP4.00
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(1-diazo-2-ethoxy-2-oxoethyl)-4-pyridin-2-ylbenzoate
CID 142738037
ethyl 2-diazo-2-(2-isoquinolin-1-ylphenyl)acetate
CID 142738015
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
methyl 2-(3-benzyl-2-methyl-6-pyridin-2-yl-4-pyridinyl)-2-diazoacetate
CID 137309343
ethyl 2-diazo-2-pyridin-3-ylacetate
CID 170961774
methyl 2-(1-diazo-2-ethoxy-2-oxoethyl)benzoate
CID 153308839
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate
CID 132584585
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160
ethyl 2-oxo-2-(3-phenylphenyl)acetate
CID 42639767
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
ethyl 2-(2-chloro-4-phenylphenyl)-2-oxoacetate
CID 20515168

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate?
The IUPAC name of ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate (CID 142738029) is ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate.
What is the SMILES notation for ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate?
The canonical SMILES for ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate is CCOC(=O)C(=[N+]=[N-])c1cc(-c2ccccc2)ccc1-c1ccccn1.
What is the InChIKey of ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate?
The InChIKey is JFDBTQKMCARSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-2-26-21(25)20(24-22)18-14-16(15-8-4-3-5-9-15)11-12-17(18)19-10-6-7-13-23-19/h3-14H,2H2,1H3.
What are the key properties of ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate?
ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate has a molecular weight of 343.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate is sourced from PubChem (CID 142738029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).