methyl 6-(azidomethyl)pyridine-3-carboxylate

C8H8N4O2 — CID 22565575

IUPACmethyl 6-(azidomethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN=[N+]=[N-])nc1
InChIInChI=1S/C8H8N4O2/c1-14-8(13)6-2-3-7(10-4-6)5-11-12-9/h2-4H,5H2,1H3
InChIKeyUDAQXROOFWMMQD-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.68
Rot. Bonds3

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

methyl 6-(azidomethyl)pyridine-3-carboxylate (PubChem CID 22565575) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl 6-(azidomethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(azidomethyl)pyridine-3-carboxylate
PubChem CID22565575
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl 6-(azidomethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN=[N+]=[N-])nc1
InChIInChI=1S/C8H8N4O2/c1-14-8(13)6-2-3-7(10-4-6)5-11-12-9/h2-4H,5H2,1H3
InChIKeyUDAQXROOFWMMQD-UHFFFAOYSA-N
XLogP1.68
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of methyl 6-(azidomethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(azidomethyl)pyridine-3-carboxylate (CID 22565575) is methyl 6-(azidomethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(azidomethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(azidomethyl)pyridine-3-carboxylate is COC(=O)c1ccc(CN=[N+]=[N-])nc1.
What is the InChIKey of methyl 6-(azidomethyl)pyridine-3-carboxylate?
The InChIKey is UDAQXROOFWMMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-8(13)6-2-3-7(10-4-6)5-11-12-9/h2-4H,5H2,1H3.
What are the key properties of methyl 6-(azidomethyl)pyridine-3-carboxylate?
methyl 6-(azidomethyl)pyridine-3-carboxylate has a molecular weight of 192.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(azidomethyl)pyridine-3-carboxylate is sourced from PubChem (CID 22565575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).