6-(3-azidoprop-1-enyl)pyridin-3-ol

C8H8N4O — CID 169461303

IUPAC6-(3-azidoprop-1-enyl)pyridin-3-ol
SMILES[N-]=[N+]=NCC=Cc1ccc(O)cn1
InChIInChI=1S/C8H8N4O/c9-12-11-5-1-2-7-3-4-8(13)6-10-7/h1-4,6,13H,5H2
InChIKeyUJSYSZXHRTVNAX-UHFFFAOYSA-N
MW176.18 g/mol
LogP2.11
Rot. Bonds3

About 6-(3-azidoprop-1-enyl)pyridin-3-ol

6-(3-azidoprop-1-enyl)pyridin-3-ol (PubChem CID 169461303) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 6-(3-azidoprop-1-enyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(3-azidoprop-1-enyl)pyridin-3-ol
PubChem CID169461303
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name6-(3-azidoprop-1-enyl)pyridin-3-ol
SMILES[N-]=[N+]=NCC=Cc1ccc(O)cn1
InChIInChI=1S/C8H8N4O/c9-12-11-5-1-2-7-3-4-8(13)6-10-7/h1-4,6,13H,5H2
InChIKeyUJSYSZXHRTVNAX-UHFFFAOYSA-N
XLogP2.11
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(3-azidoprop-1-enyl)pyridin-3-ol?
The IUPAC name of 6-(3-azidoprop-1-enyl)pyridin-3-ol (CID 169461303) is 6-(3-azidoprop-1-enyl)pyridin-3-ol.
What is the SMILES notation for 6-(3-azidoprop-1-enyl)pyridin-3-ol?
The canonical SMILES for 6-(3-azidoprop-1-enyl)pyridin-3-ol is [N-]=[N+]=NCC=Cc1ccc(O)cn1.
What is the InChIKey of 6-(3-azidoprop-1-enyl)pyridin-3-ol?
The InChIKey is UJSYSZXHRTVNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-12-11-5-1-2-7-3-4-8(13)6-10-7/h1-4,6,13H,5H2.
What are the key properties of 6-(3-azidoprop-1-enyl)pyridin-3-ol?
6-(3-azidoprop-1-enyl)pyridin-3-ol has a molecular weight of 176.18 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azidoprop-1-enyl)pyridin-3-ol is sourced from PubChem (CID 169461303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).