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

C14H13ClF3N5O — CID 165380975

IUPAC4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
SMILESCC(Oc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12)C(F)(F)F
InChIInChI=1S/C14H13ClF3N5O/c1-7(14(16,17)18)24-12-9-5-20-11(15)4-8(9)10(6-21-12)13(2,3)22-23-19/h4-7H,1-3H3
InChIKeyHHUTWKQHDDJKFZ-UHFFFAOYSA-N
MW359.74 g/mol
LogP5.16
Rot. Bonds4

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

4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine (PubChem CID 165380975) has the molecular formula C14H13ClF3N5O and a molecular weight of 359.74 g/mol. Its IUPAC name is 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine.

Molecular Properties

Compound Name4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
PubChem CID165380975
Molecular FormulaC14H13ClF3N5O
Molecular Weight359.74 g/mol
Exact Mass359.08
IUPAC Name4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
SMILESCC(Oc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12)C(F)(F)F
InChIInChI=1S/C14H13ClF3N5O/c1-7(14(16,17)18)24-12-9-5-20-11(15)4-8(9)10(6-21-12)13(2,3)22-23-19/h4-7H,1-3H3
InChIKeyHHUTWKQHDDJKFZ-UHFFFAOYSA-N
XLogP5.16
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.74
LogP ≤ 55.16
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-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine?
The IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine (CID 165380975) is 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine.
What is the SMILES notation for 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine?
The canonical SMILES for 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine is CC(Oc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12)C(F)(F)F.
What is the InChIKey of 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine?
The InChIKey is HHUTWKQHDDJKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N5O/c1-7(14(16,17)18)24-12-9-5-20-11(15)4-8(9)10(6-21-12)13(2,3)22-23-19/h4-7H,1-3H3.
What are the key properties of 4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine?
4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine has a molecular weight of 359.74 g/mol, XLogP of 5.16, 4 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-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine is sourced from PubChem (CID 165380975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).