ethyl 6-(azidomethyl)pyridine-3-carboxylate

C9H10N4O2 — CID 118667100

IUPACethyl 6-(azidomethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(CN=[N+]=[N-])nc1
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)7-3-4-8(11-5-7)6-12-13-10/h3-5H,2,6H2,1H3
InChIKeyJCRNUDZOZBHCNV-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.07
Rot. Bonds4

About ethyl 6-(azidomethyl)pyridine-3-carboxylate

ethyl 6-(azidomethyl)pyridine-3-carboxylate (PubChem CID 118667100) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 6-(azidomethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(azidomethyl)pyridine-3-carboxylate
PubChem CID118667100
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Nameethyl 6-(azidomethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(CN=[N+]=[N-])nc1
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)7-3-4-8(11-5-7)6-12-13-10/h3-5H,2,6H2,1H3
InChIKeyJCRNUDZOZBHCNV-UHFFFAOYSA-N
XLogP2.07
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.07
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

1-[6-(azidomethyl)-3-pyridinyl]ethanone
CID 118052846
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate
CID 178112074
ethyl 6-(methylsulfonyloxymethyl)pyridine-3-carboxylate
CID 10988996
ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate
CID 11371814
2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane
CID 171774439
ethyl 6-butan-2-ylpyridine-3-carboxylate
CID 143474264
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-aminobenzoate
CID 2337
ethane;ethyl 4-methylbenzoate
CID 142095143

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(azidomethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(azidomethyl)pyridine-3-carboxylate (CID 118667100) is ethyl 6-(azidomethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(azidomethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(azidomethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(CN=[N+]=[N-])nc1.
What is the InChIKey of ethyl 6-(azidomethyl)pyridine-3-carboxylate?
The InChIKey is JCRNUDZOZBHCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-9(14)7-3-4-8(11-5-7)6-12-13-10/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 6-(azidomethyl)pyridine-3-carboxylate?
ethyl 6-(azidomethyl)pyridine-3-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(azidomethyl)pyridine-3-carboxylate is sourced from PubChem (CID 118667100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).