3-(azidomethyl)-2-pyrazol-1-ylpyridine

C9H8N6 — CID 124908917

IUPAC3-(azidomethyl)-2-pyrazol-1-ylpyridine
SMILES[N-]=[N+]=NCc1cccnc1-n1cccn1
InChIInChI=1S/C9H8N6/c10-14-12-7-8-3-1-4-11-9(8)15-6-2-5-13-15/h1-6H,7H2
InChIKeyVWIBAOLKHHVBJA-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.08
Rot. Bonds3

About 3-(azidomethyl)-2-pyrazol-1-ylpyridine

3-(azidomethyl)-2-pyrazol-1-ylpyridine (PubChem CID 124908917) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-(azidomethyl)-2-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name3-(azidomethyl)-2-pyrazol-1-ylpyridine
PubChem CID124908917
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name3-(azidomethyl)-2-pyrazol-1-ylpyridine
SMILES[N-]=[N+]=NCc1cccnc1-n1cccn1
InChIInChI=1S/C9H8N6/c10-14-12-7-8-3-1-4-11-9(8)15-6-2-5-13-15/h1-6H,7H2
InChIKeyVWIBAOLKHHVBJA-UHFFFAOYSA-N
XLogP2.08
TPSA79.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.08
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 3-(azidomethyl)-2-pyrazol-1-ylpyridine?
The IUPAC name of 3-(azidomethyl)-2-pyrazol-1-ylpyridine (CID 124908917) is 3-(azidomethyl)-2-pyrazol-1-ylpyridine.
What is the SMILES notation for 3-(azidomethyl)-2-pyrazol-1-ylpyridine?
The canonical SMILES for 3-(azidomethyl)-2-pyrazol-1-ylpyridine is [N-]=[N+]=NCc1cccnc1-n1cccn1.
What is the InChIKey of 3-(azidomethyl)-2-pyrazol-1-ylpyridine?
The InChIKey is VWIBAOLKHHVBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c10-14-12-7-8-3-1-4-11-9(8)15-6-2-5-13-15/h1-6H,7H2.
What are the key properties of 3-(azidomethyl)-2-pyrazol-1-ylpyridine?
3-(azidomethyl)-2-pyrazol-1-ylpyridine has a molecular weight of 200.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-2-pyrazol-1-ylpyridine is sourced from PubChem (CID 124908917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).