2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine

C17H11FN4O — CID 126499774

IUPAC2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
SMILESFc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1
InChIInChI=1S/C17H11FN4O/c18-15-10-4-8-13(19-15)16-20-17(14-9-5-11-22(14)21-16)23-12-6-2-1-3-7-12/h1-11H
InChIKeyKNUIXQMOJDUNHR-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.72
Rot. Bonds3

About 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine

2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine (PubChem CID 126499774) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
PubChem CID126499774
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
SMILESFc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1
InChIInChI=1S/C17H11FN4O/c18-15-10-4-8-13(19-15)16-20-17(14-9-5-11-22(14)21-16)23-12-6-2-1-3-7-12/h1-11H
InChIKeyKNUIXQMOJDUNHR-UHFFFAOYSA-N
XLogP3.72
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine (CID 126499774) is 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine is Fc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.
What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is KNUIXQMOJDUNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-15-10-4-8-13(19-15)16-20-17(14-9-5-11-22(14)21-16)23-12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 306.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 126499774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).