2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine

C9H12N4O — CID 25219407

IUPAC2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CN=[N+]=[N-])c1C
InChIInChI=1S/C9H12N4O/c1-6-4-11-8(5-12-13-10)7(2)9(6)14-3/h4H,5H2,1-3H3
InChIKeyDOIVWEUSKRITNF-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.52
Rot. Bonds3

About 2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine

2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine (PubChem CID 25219407) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine
PubChem CID25219407
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CN=[N+]=[N-])c1C
InChIInChI=1S/C9H12N4O/c1-6-4-11-8(5-12-13-10)7(2)9(6)14-3/h4H,5H2,1-3H3
InChIKeyDOIVWEUSKRITNF-UHFFFAOYSA-N
XLogP2.52
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
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)-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine (CID 25219407) is 2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CN=[N+]=[N-])c1C.
What is the InChIKey of 2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine?
The InChIKey is DOIVWEUSKRITNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-4-11-8(5-12-13-10)7(2)9(6)14-3/h4H,5H2,1-3H3.
What are the key properties of 2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine?
2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine has a molecular weight of 192.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 25219407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).