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

C14H14ClF2N5O — CID 165381006

IUPAC4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine
SMILESCC(Oc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12)C(F)F
InChIInChI=1S/C14H14ClF2N5O/c1-7(12(16)17)23-13-9-5-19-11(15)4-8(9)10(6-20-13)14(2,3)21-22-18/h4-7,12H,1-3H3
InChIKeyOPEIRUMIDSLRKA-UHFFFAOYSA-N
MW341.75 g/mol
LogP4.86
Rot. Bonds5

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

4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine (PubChem CID 165381006) has the molecular formula C14H14ClF2N5O and a molecular weight of 341.75 g/mol. Its IUPAC name is 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine.

Molecular Properties

Compound Name4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine
PubChem CID165381006
Molecular FormulaC14H14ClF2N5O
Molecular Weight341.75 g/mol
Exact Mass341.09
IUPAC Name4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine
SMILESCC(Oc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12)C(F)F
InChIInChI=1S/C14H14ClF2N5O/c1-7(12(16)17)23-13-9-5-19-11(15)4-8(9)10(6-20-13)14(2,3)21-22-18/h4-7,12H,1-3H3
InChIKeyOPEIRUMIDSLRKA-UHFFFAOYSA-N
XLogP4.86
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 54.86
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-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine?
The IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine (CID 165381006) is 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine.
What is the SMILES notation for 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine?
The canonical SMILES for 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine is CC(Oc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12)C(F)F.
What is the InChIKey of 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine?
The InChIKey is OPEIRUMIDSLRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N5O/c1-7(12(16)17)23-13-9-5-19-11(15)4-8(9)10(6-20-13)14(2,3)21-22-18/h4-7,12H,1-3H3.
What are the key properties of 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine?
4-(2-azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine has a molecular weight of 341.75 g/mol, XLogP of 4.86, 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-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine is sourced from PubChem (CID 165381006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).