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

C13H12ClF2N5O — CID 165381110

IUPAC4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine
SMILESCC(C)(N=[N+]=[N-])c1cnc(OCC(F)F)c2cnc(Cl)cc12
InChIInChI=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
InChIKeyDFBLLPQEWALFKH-UHFFFAOYSA-N
MW327.72 g/mol
LogP4.47
Rot. Bonds5

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 Name4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine
PubChem CID165381110
Molecular FormulaC13H12ClF2N5O
Molecular Weight327.72 g/mol
Exact Mass327.07
IUPAC Name4-(2-azidopropan-2-yl)-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine
SMILESCC(C)(N=[N+]=[N-])c1cnc(OCC(F)F)c2cnc(Cl)cc12
InChIInChI=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
InChIKeyDFBLLPQEWALFKH-UHFFFAOYSA-N
XLogP4.47
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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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).