ethyl 2-diazo-2-pyridin-3-ylacetate

C9H9N3O2 — CID 170961774

IUPACethyl 2-diazo-2-pyridin-3-ylacetate
SMILESCCOC(=O)C(=[N+]=[N-])c1cccnc1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)8(12-10)7-4-3-5-11-6-7/h3-6H,2H2,1H3
InChIKeyDULPEDWWRUPJOD-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.66
Rot. Bonds3

About ethyl 2-diazo-2-pyridin-3-ylacetate

ethyl 2-diazo-2-pyridin-3-ylacetate (PubChem CID 170961774) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl 2-diazo-2-pyridin-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-diazo-2-pyridin-3-ylacetate
PubChem CID170961774
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl 2-diazo-2-pyridin-3-ylacetate
SMILESCCOC(=O)C(=[N+]=[N-])c1cccnc1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)8(12-10)7-4-3-5-11-6-7/h3-6H,2H2,1H3
InChIKeyDULPEDWWRUPJOD-UHFFFAOYSA-N
XLogP0.66
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.66
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 pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 3,3-bis(methylsulfanyl)-2-pyridin-3-ylprop-2-enoate
CID 117064219
diethyl 2-(pyridine-3-carbonyl)butanedioate
CID 45039205
ethyl 3-(pyridine-3-carbonyl)but-3-enoate
CID 22457754
2-trimethylsilylethyl 2-diazo-2-phenylacetate
CID 132605238
ethyl 3-pyridin-3-ylbut-2-enoate
CID 54400359
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
ethyl (2E)-2-[amino(pyridin-3-yl)methylidene]-3-phenylbut-3-enoate
CID 101492023
ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829
ethyl pyridine-3-carboperoxoate
CID 143721352
ethyl 3-(2-phenylhydrazinyl)-2-pyridin-3-ylprop-2-enoate
CID 72537732
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-2-pyridin-3-ylacetate?
The IUPAC name of ethyl 2-diazo-2-pyridin-3-ylacetate (CID 170961774) is ethyl 2-diazo-2-pyridin-3-ylacetate.
What is the SMILES notation for ethyl 2-diazo-2-pyridin-3-ylacetate?
The canonical SMILES for ethyl 2-diazo-2-pyridin-3-ylacetate is CCOC(=O)C(=[N+]=[N-])c1cccnc1.
What is the InChIKey of ethyl 2-diazo-2-pyridin-3-ylacetate?
The InChIKey is DULPEDWWRUPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-9(13)8(12-10)7-4-3-5-11-6-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-diazo-2-pyridin-3-ylacetate?
ethyl 2-diazo-2-pyridin-3-ylacetate has a molecular weight of 191.19 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-2-pyridin-3-ylacetate is sourced from PubChem (CID 170961774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).