methyl 3-azidopyridine-2-carboxylate

C7H6N4O2 — CID 138989271

IUPACmethyl 3-azidopyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N=[N+]=[N-]
InChIInChI=1S/C7H6N4O2/c1-13-7(12)6-5(10-11-8)3-2-4-9-6/h2-4H,1H3
InChIKeyZCYIBJOMOPQKCX-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.81
Rot. Bonds2

About methyl 3-azidopyridine-2-carboxylate

methyl 3-azidopyridine-2-carboxylate (PubChem CID 138989271) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is methyl 3-azidopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-azidopyridine-2-carboxylate
PubChem CID138989271
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Namemethyl 3-azidopyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N=[N+]=[N-]
InChIInChI=1S/C7H6N4O2/c1-13-7(12)6-5(10-11-8)3-2-4-9-6/h2-4H,1H3
InChIKeyZCYIBJOMOPQKCX-UHFFFAOYSA-N
XLogP1.81
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 2-(2-diazoacetyl)pyridine-3-carboxylate
CID 71413489
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
methyl 3-azido-4-hydroxybenzoate
CID 62706001
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
methyl 4-[(2-azidobenzoyl)amino]benzoate
CID 102433026
8-azidoquinoline
CID 11321201
methane;methyl 3-azido-4-methylbenzoate
CID 167548243
methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate
CID 155432044
methyl 5-(2-azidophenoxy)furan-2-carboxylate
CID 12748629
methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
CID 19700964

Frequently Asked Questions

What is the IUPAC name of methyl 3-azidopyridine-2-carboxylate?
The IUPAC name of methyl 3-azidopyridine-2-carboxylate (CID 138989271) is methyl 3-azidopyridine-2-carboxylate.
What is the SMILES notation for methyl 3-azidopyridine-2-carboxylate?
The canonical SMILES for methyl 3-azidopyridine-2-carboxylate is COC(=O)c1ncccc1N=[N+]=[N-].
What is the InChIKey of methyl 3-azidopyridine-2-carboxylate?
The InChIKey is ZCYIBJOMOPQKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-13-7(12)6-5(10-11-8)3-2-4-9-6/h2-4H,1H3.
What are the key properties of methyl 3-azidopyridine-2-carboxylate?
methyl 3-azidopyridine-2-carboxylate has a molecular weight of 178.15 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-azidopyridine-2-carboxylate is sourced from PubChem (CID 138989271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).