11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C15H9FN4 — CID 166629883

IUPAC11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1ncccc1-c1ccc2c(n1)[nH]c1cnccc12
InChIInChI=1S/C15H9FN4/c16-14-11(2-1-6-18-14)12-4-3-10-9-5-7-17-8-13(9)20-15(10)19-12/h1-8H,(H,19,20)
InChIKeyFQVDOTKDOIKAKK-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.31
Rot. Bonds1

About 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 166629883) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID166629883
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1ncccc1-c1ccc2c(n1)[nH]c1cnccc12
InChIInChI=1S/C15H9FN4/c16-14-11(2-1-6-18-14)12-4-3-10-9-5-7-17-8-13(9)20-15(10)19-12/h1-8H,(H,19,20)
InChIKeyFQVDOTKDOIKAKK-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 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 166629883) is 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Fc1ncccc1-c1ccc2c(n1)[nH]c1cnccc12.
What is the InChIKey of 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FQVDOTKDOIKAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-14-11(2-1-6-18-14)12-4-3-10-9-5-7-17-8-13(9)20-15(10)19-12/h1-8H,(H,19,20).
What are the key properties of 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-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 11-(2-fluoro-3-pyridinyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 166629883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).