8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine

C6H5FN4O2 — CID 170030859

IUPAC8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])C1=CN2NCN=C2C(F)=C1
InChIInChI=1S/C6H5FN4O2/c7-5-1-4(11(12)13)2-10-6(5)8-3-9-10/h1-2,9H,3H2
InChIKeyILWXGBZYFPZMRZ-UHFFFAOYSA-N
MW184.13 g/mol
LogP0.15
Rot. Bonds1

About 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine

8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 170030859) has the molecular formula C6H5FN4O2 and a molecular weight of 184.13 g/mol. Its IUPAC name is 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID170030859
Molecular FormulaC6H5FN4O2
Molecular Weight184.13 g/mol
Exact Mass184.04
IUPAC Name8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])C1=CN2NCN=C2C(F)=C1
InChIInChI=1S/C6H5FN4O2/c7-5-1-4(11(12)13)2-10-6(5)8-3-9-10/h1-2,9H,3H2
InChIKeyILWXGBZYFPZMRZ-UHFFFAOYSA-N
XLogP0.15
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine (CID 170030859) is 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])C1=CN2NCN=C2C(F)=C1.
What is the InChIKey of 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ILWXGBZYFPZMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4O2/c7-5-1-4(11(12)13)2-10-6(5)8-3-9-10/h1-2,9H,3H2.
What are the key properties of 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 184.13 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-nitro-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 170030859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).