8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine

C12H5F3N4O2 — CID 82566584

IUPAC8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3ccc(F)c(F)c3F)nc12
InChIInChI=1S/C12H5F3N4O2/c13-7-4-3-6(9(14)10(7)15)11-16-12-8(19(20)21)2-1-5-18(12)17-11/h1-5H
InChIKeyMEFRQPBXKLNNIP-UHFFFAOYSA-N
MW294.19 g/mol
LogP2.72
Rot. Bonds2

About 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine

8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566584) has the molecular formula C12H5F3N4O2 and a molecular weight of 294.19 g/mol. Its IUPAC name is 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566584
Molecular FormulaC12H5F3N4O2
Molecular Weight294.19 g/mol
Exact Mass294.04
IUPAC Name8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3ccc(F)c(F)c3F)nc12
InChIInChI=1S/C12H5F3N4O2/c13-7-4-3-6(9(14)10(7)15)11-16-12-8(19(20)21)2-1-5-18(12)17-11/h1-5H
InChIKeyMEFRQPBXKLNNIP-UHFFFAOYSA-N
XLogP2.72
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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
2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566597
2,3,4-trifluoro-N-(8-nitro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 110455353
8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566551
1,2,3-trifluoro-4-(2-nitrophenyl)benzene
CID 141419715
8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566580
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
N-(8-nitro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)adamantane-1-carboxamide
CID 110455355
1,2-difluoro-3-(2-fluorophenyl)-4-nitrobenzene
CID 46314527
1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene
CID 118830267
3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole
CID 81311925

Frequently Asked Questions

What is the IUPAC name of 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 82566584) is 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1cccn2nc(-c3ccc(F)c(F)c3F)nc12.
What is the InChIKey of 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MEFRQPBXKLNNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3N4O2/c13-7-4-3-6(9(14)10(7)15)11-16-12-8(19(20)21)2-1-5-18(12)17-11/h1-5H.
What are the key properties of 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 294.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).