1-azido-2H-pyridine

C5H6N4 — CID 19063544

IUPAC1-azido-2H-pyridine
SMILES[N-]=[N+]=NN1C=CC=CC1
InChIInChI=1S/C5H6N4/c6-7-8-9-4-2-1-3-5-9/h1-4H,5H2
InChIKeyUOFBCOAPBFUILK-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.60
Rot. Bonds1

About 1-azido-2H-pyridine

1-azido-2H-pyridine (PubChem CID 19063544) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 1-azido-2H-pyridine.

Molecular Properties

Compound Name1-azido-2H-pyridine
PubChem CID19063544
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name1-azido-2H-pyridine
SMILES[N-]=[N+]=NN1C=CC=CC1
InChIInChI=1S/C5H6N4/c6-7-8-9-4-2-1-3-5-9/h1-4H,5H2
InChIKeyUOFBCOAPBFUILK-UHFFFAOYSA-N
XLogP1.60
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-azido-2H-pyridine?
The IUPAC name of 1-azido-2H-pyridine (CID 19063544) is 1-azido-2H-pyridine.
What is the SMILES notation for 1-azido-2H-pyridine?
The canonical SMILES for 1-azido-2H-pyridine is [N-]=[N+]=NN1C=CC=CC1.
What is the InChIKey of 1-azido-2H-pyridine?
The InChIKey is UOFBCOAPBFUILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c6-7-8-9-4-2-1-3-5-9/h1-4H,5H2.
What are the key properties of 1-azido-2H-pyridine?
1-azido-2H-pyridine has a molecular weight of 122.13 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2H-pyridine is sourced from PubChem (CID 19063544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).