4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine

C₁₃H₁₂ClF₂N₅O — CID 165381110

About 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine

4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine (PubChem CID 165381110) has the molecular formula C₁₃H₁₂ClF₂N₅O and a molecular weight of 327.72 g/mol. Its IUPAC name is 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine.

Molecular Properties

• Compound Name: 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine
• PubChem CID: 165381110
• Molecular Formula: C₁₃H₁₂ClF₂N₅O
• Molecular Weight: 327.72 g/mol
• Exact Mass: 327.07
• IUPAC Name: 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine
• SMILES: CC(C)(N=[N+]=[N-])c1cnc(OCC(F)F)c2cnc(Cl)cc12
• InChI: InChI=1S/C13H12ClF2N5O/c1-13(2,20-21-17)9-5-19-12(22-6-11(15)16)8-4-18-10(14)3-7(8)9/h3-5,11H,6H2,1-2H3
• InChIKey: DFBLLPQEWALFKH-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 83.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.72
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine?

The IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine (CID 165381110) is 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine.

What is the SMILES notation for 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine?

The canonical SMILES for 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine is CC(C)(N=[N+]=[N-])c1cnc(OCC(F)F)c2cnc(Cl)cc12.

What is the InChIKey of 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine?

The InChIKey is DFBLLPQEWALFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N5O/c1-13(2,20-21-17)9-5-19-12(22-6-11(15)16)8-4-18-10(14)3-7(8)9/h3-5,11H,6H2,1-2H3.

What are the key properties of 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine?

4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine has a molecular weight of 327.72 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine is sourced from PubChem (CID 165381110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165381110 — identifiers, structure, computed properties (public domain)

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