2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine

C12H6BrFN4O2 — CID 82566597

IUPAC2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3cc(Br)ccc3F)nc12
InChIInChI=1S/C12H6BrFN4O2/c13-7-3-4-9(14)8(6-7)11-15-12-10(18(19)20)2-1-5-17(12)16-11/h1-6H
InChIKeyOVTAMPDWYZTKKZ-UHFFFAOYSA-N
MW337.11 g/mol
LogP3.21
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine

2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566597) has the molecular formula C12H6BrFN4O2 and a molecular weight of 337.11 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566597
Molecular FormulaC12H6BrFN4O2
Molecular Weight337.11 g/mol
Exact Mass335.97
IUPAC Name2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3cc(Br)ccc3F)nc12
InChIInChI=1S/C12H6BrFN4O2/c13-7-3-4-9(14)8(6-7)11-15-12-10(18(19)20)2-1-5-17(12)16-11/h1-6H
InChIKeyOVTAMPDWYZTKKZ-UHFFFAOYSA-N
XLogP3.21
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.11
LogP ≤ 53.21
H-Bond Donors ≤ 50
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'}

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Related Compounds

2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566561
8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566584
8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566551
2,3,4-trifluoro-N-(8-nitro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 110455353
2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565554
8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83899512
methyl 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567133
2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566957
2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine
CID 114070936
4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
CID 114673157
N-[(5-bromo-2-fluorophenyl)methyl]-2-nitroaniline
CID 43433452
N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215688

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine (CID 82566597) is 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1cccn2nc(-c3cc(Br)ccc3F)nc12.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OVTAMPDWYZTKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN4O2/c13-7-3-4-9(14)8(6-7)11-15-12-10(18(19)20)2-1-5-17(12)16-11/h1-6H.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine?
2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 337.11 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).