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

C7H8N4O2 — CID 42625824

IUPAC2-(azidomethyl)-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN=[N+]=[N-])cc1=O
InChIInChI=1S/C7H8N4O2/c1-13-7-4-9-5(2-6(7)12)3-10-11-8/h2,4H,3H2,1H3,(H,9,12)
InChIKeyNGRHKUYBHGKLFB-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.19
Rot. Bonds3

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

2-(azidomethyl)-5-methoxy-1H-pyridin-4-one (PubChem CID 42625824) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-(azidomethyl)-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(azidomethyl)-5-methoxy-1H-pyridin-4-one
PubChem CID42625824
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name2-(azidomethyl)-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN=[N+]=[N-])cc1=O
InChIInChI=1S/C7H8N4O2/c1-13-7-4-9-5(2-6(7)12)3-10-11-8/h2,4H,3H2,1H3,(H,9,12)
InChIKeyNGRHKUYBHGKLFB-UHFFFAOYSA-N
XLogP1.19
TPSA90.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.19
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-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(azidomethyl)-5-methoxy-1H-pyridin-4-one (CID 42625824) is 2-(azidomethyl)-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(azidomethyl)-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(azidomethyl)-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(CN=[N+]=[N-])cc1=O.
What is the InChIKey of 2-(azidomethyl)-5-methoxy-1H-pyridin-4-one?
The InChIKey is NGRHKUYBHGKLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-13-7-4-9-5(2-6(7)12)3-10-11-8/h2,4H,3H2,1H3,(H,9,12).
What are the key properties of 2-(azidomethyl)-5-methoxy-1H-pyridin-4-one?
2-(azidomethyl)-5-methoxy-1H-pyridin-4-one has a molecular weight of 180.17 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 42625824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).