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

C12H7FN4O2 — CID 82566561

IUPAC2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3ccccc3F)nc12
InChIInChI=1S/C12H7FN4O2/c13-9-5-2-1-4-8(9)11-14-12-10(17(18)19)6-3-7-16(12)15-11/h1-7H
InChIKeyVTHTVZQFRHTSPR-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.44
Rot. Bonds2

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

2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566561) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566561
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC Name2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3ccccc3F)nc12
InChIInChI=1S/C12H7FN4O2/c13-9-5-2-1-4-8(9)11-14-12-10(17(18)19)6-3-7-16(12)15-11/h1-7H
InChIKeyVTHTVZQFRHTSPR-UHFFFAOYSA-N
XLogP2.44
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.44
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-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566597
8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566584
2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565554
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
N-(8-nitro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)adamantane-1-carboxamide
CID 110455355
2-(2-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 83964861
1,2,3-trifluoro-4-(2-nitrophenyl)benzene
CID 141419715
1,2-difluoro-3-(2-fluorophenyl)-4-nitrobenzene
CID 46314527
1-methyl-3-(2-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 21283770
3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole
CID 81311925
8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83899512

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine (CID 82566561) is 2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1cccn2nc(-c3ccccc3F)nc12.
What is the InChIKey of 2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VTHTVZQFRHTSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-9-5-2-1-4-8(9)11-14-12-10(17(18)19)6-3-7-16(12)15-11/h1-7H.
What are the key properties of 2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine?
2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 258.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).