6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine

C11H7N5O2 — CID 82566488

IUPAC6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C11H7N5O2/c17-16(18)9-3-4-10-13-11(14-15(10)7-9)8-2-1-5-12-6-8/h1-7H
InChIKeyCELQAPLQNJMRPQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.70
Rot. Bonds2

About 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine

6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566488) has the molecular formula C11H7N5O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566488
Molecular FormulaC11H7N5O2
Molecular Weight241.21 g/mol
Exact Mass241.06
IUPAC Name6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C11H7N5O2/c17-16(18)9-3-4-10-13-11(14-15(10)7-9)8-2-1-5-12-6-8/h1-7H
InChIKeyCELQAPLQNJMRPQ-UHFFFAOYSA-N
XLogP1.70
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566512
6-bromo-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83965227
2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462587
5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566432
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567404
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 115004022
3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine
CID 174550966
1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid
CID 159476832
3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 155547970
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948210
formaldehyde;3-nitropyridine
CID 159977951
2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
CID 67216001

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 82566488) is 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1ccc2nc(-c3cccnc3)nn2c1.
What is the InChIKey of 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CELQAPLQNJMRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2/c17-16(18)9-3-4-10-13-11(14-15(10)7-9)8-2-1-5-12-6-8/h1-7H.
What are the key properties of 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine?
6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 241.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).