5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C15H9FN4 — CID 166628911

IUPAC5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESFc1cc(-c2cc3[nH]c4ccncc4c3cn2)ccn1
InChIInChI=1S/C15H9FN4/c16-15-5-9(1-4-18-15)13-6-14-11(8-19-13)10-7-17-3-2-12(10)20-14/h1-8,20H
InChIKeyARAVLRTWBASVPT-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.31
Rot. Bonds1

About 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 166628911) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID166628911
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESFc1cc(-c2cc3[nH]c4ccncc4c3cn2)ccn1
InChIInChI=1S/C15H9FN4/c16-15-5-9(1-4-18-15)13-6-14-11(8-19-13)10-7-17-3-2-12(10)20-14/h1-8,20H
InChIKeyARAVLRTWBASVPT-UHFFFAOYSA-N
XLogP3.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 166628911) is 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is Fc1cc(-c2cc3[nH]c4ccncc4c3cn2)ccn1.
What is the InChIKey of 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is ARAVLRTWBASVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-15-5-9(1-4-18-15)13-6-14-11(8-19-13)10-7-17-3-2-12(10)20-14/h1-8,20H.
What are the key properties of 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 264.26 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-pyridinyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 166628911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).