5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine

C19H20N4O2 — CID 58047564

IUPAC5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine
SMILESCCOc1ccc(CCc2ccc3cc(C(C)N=[N+]=[N-])oc3c2)cn1
InChIInChI=1S/C19H20N4O2/c1-3-24-19-9-7-15(12-21-19)5-4-14-6-8-16-11-17(13(2)22-23-20)25-18(16)10-14/h6-13H,3-5H2,1-2H3
InChIKeyVFQNLHLGCGYFEX-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.38
Rot. Bonds7

About 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine

5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine (PubChem CID 58047564) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine.

Molecular Properties

Compound Name5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine
PubChem CID58047564
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine
SMILESCCOc1ccc(CCc2ccc3cc(C(C)N=[N+]=[N-])oc3c2)cn1
InChIInChI=1S/C19H20N4O2/c1-3-24-19-9-7-15(12-21-19)5-4-14-6-8-16-11-17(13(2)22-23-20)25-18(16)10-14/h6-13H,3-5H2,1-2H3
InChIKeyVFQNLHLGCGYFEX-UHFFFAOYSA-N
XLogP5.38
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine?
The IUPAC name of 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine (CID 58047564) is 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine.
What is the SMILES notation for 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine?
The canonical SMILES for 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine is CCOc1ccc(CCc2ccc3cc(C(C)N=[N+]=[N-])oc3c2)cn1.
What is the InChIKey of 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine?
The InChIKey is VFQNLHLGCGYFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-24-19-9-7-15(12-21-19)5-4-14-6-8-16-11-17(13(2)22-23-20)25-18(16)10-14/h6-13H,3-5H2,1-2H3.
What are the key properties of 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine?
5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine has a molecular weight of 336.40 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine is sourced from PubChem (CID 58047564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).