5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine

C15H11FN4S — CID 91094106

IUPAC5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine
SMILESCC(N=[N+]=[N-])c1cnc(F)cc1-c1cccc2ccsc12
InChIInChI=1S/C15H11FN4S/c1-9(19-20-17)13-8-18-14(16)7-12(13)11-4-2-3-10-5-6-21-15(10)11/h2-9H,1H3
InChIKeyOZVVCWDQOPCSEZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP5.47
Rot. Bonds3

About 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine

5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine (PubChem CID 91094106) has the molecular formula C15H11FN4S and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine.

Molecular Properties

Compound Name5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine
PubChem CID91094106
Molecular FormulaC15H11FN4S
Molecular Weight298.35 g/mol
Exact Mass298.07
IUPAC Name5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine
SMILESCC(N=[N+]=[N-])c1cnc(F)cc1-c1cccc2ccsc12
InChIInChI=1S/C15H11FN4S/c1-9(19-20-17)13-8-18-14(16)7-12(13)11-4-2-3-10-5-6-21-15(10)11/h2-9H,1H3
InChIKeyOZVVCWDQOPCSEZ-UHFFFAOYSA-N
XLogP5.47
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine?
The IUPAC name of 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine (CID 91094106) is 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine.
What is the SMILES notation for 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine?
The canonical SMILES for 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine is CC(N=[N+]=[N-])c1cnc(F)cc1-c1cccc2ccsc12.
What is the InChIKey of 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine?
The InChIKey is OZVVCWDQOPCSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4S/c1-9(19-20-17)13-8-18-14(16)7-12(13)11-4-2-3-10-5-6-21-15(10)11/h2-9H,1H3.
What are the key properties of 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine?
5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine has a molecular weight of 298.35 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azidoethyl)-4-(1-benzothiophen-7-yl)-2-fluoropyridine is sourced from PubChem (CID 91094106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).