2-(azidomethyl)-5-propoxy-1H-pyridin-4-one

C9H12N4O2 — CID 42625825

IUPAC2-(azidomethyl)-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(CN=[N+]=[N-])cc1=O
InChIInChI=1S/C9H12N4O2/c1-2-3-15-9-6-11-7(4-8(9)14)5-12-13-10/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeyQASGOFYGOPGLTE-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.97
Rot. Bonds5

About 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one

2-(azidomethyl)-5-propoxy-1H-pyridin-4-one (PubChem CID 42625825) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(azidomethyl)-5-propoxy-1H-pyridin-4-one
PubChem CID42625825
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(azidomethyl)-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(CN=[N+]=[N-])cc1=O
InChIInChI=1S/C9H12N4O2/c1-2-3-15-9-6-11-7(4-8(9)14)5-12-13-10/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeyQASGOFYGOPGLTE-UHFFFAOYSA-N
XLogP1.97
TPSA90.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.97
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 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one?
The IUPAC name of 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one (CID 42625825) is 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one is CCCOc1c[nH]c(CN=[N+]=[N-])cc1=O.
What is the InChIKey of 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one?
The InChIKey is QASGOFYGOPGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-3-15-9-6-11-7(4-8(9)14)5-12-13-10/h4,6H,2-3,5H2,1H3,(H,11,14).
What are the key properties of 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one?
2-(azidomethyl)-5-propoxy-1H-pyridin-4-one has a molecular weight of 208.22 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-propoxy-1H-pyridin-4-one is sourced from PubChem (CID 42625825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).