Methyl 5-(azidocarbonyl)pyridine-2-carboxylate

HCID 12907784

Notes Reactions

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Basic information

CAS: 67516-01-2
Standard SMILES: COC(=O)c1ccc(C(=O)N=[N+]=[N-])cn1
InChIKey: HXNLGSFFICDPCV-UHFFFAOYSA-N
Molecular formula: C8H6N4O3
Average molar mass: 206.16 g/mol
Monoisotopic mass: 206.04399005

Names & identifiers

Preferred name: Methyl 5-(azidocarbonyl)pyridine-2-carboxylate
IUPAC: methyl 5-carbonazidoylpyridine-2-carboxylate

Names & synonyms

67516-01-2Methyl 5-(azidocarbonyl)pyridine-2-carboxylateSCHEMBL13717101DTXSID40512677HXNLGSFFICDPCV-UHFFFAOYSA-N5-azidocarbonyl-pyridine-2-carboxylic acid methyl ester

Database identifiers

CAS: 67516-01-2
PubChem CID: 12907784
DTXSID: DTXSID40512677

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 70.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 311

Related reactions

2 records

New reaction record

HRID 697313As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2102765As productuspto-grants-2009_08

Compound notes

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