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

C6H3BrN4O2 — CID 83899512

IUPAC8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1nc2c(Br)cccn2n1
InChIInChI=1S/C6H3BrN4O2/c7-4-2-1-3-10-5(4)8-6(9-10)11(12)13/h1-3H
InChIKeyLVSAFZHMWMOMFG-UHFFFAOYSA-N
MW243.02 g/mol
LogP1.40
Rot. Bonds1

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

8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 83899512) has the molecular formula C6H3BrN4O2 and a molecular weight of 243.02 g/mol. Its IUPAC name is 8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID83899512
Molecular FormulaC6H3BrN4O2
Molecular Weight243.02 g/mol
Exact Mass241.94
IUPAC Name8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1nc2c(Br)cccn2n1
InChIInChI=1S/C6H3BrN4O2/c7-4-2-1-3-10-5(4)8-6(9-10)11(12)13/h1-3H
InChIKeyLVSAFZHMWMOMFG-UHFFFAOYSA-N
XLogP1.40
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.02
LogP ≤ 51.40
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

6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83899513
2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 136927128
2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566597
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616
6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83880374
3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 114156328
8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566551
8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566580
2-bromo-4-(5-bromo-3-nitro-1,2,4-triazol-1-yl)benzoic acid
CID 107282403
4-[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzoic acid
CID 123222984
2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethylurea
CID 83112416
8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137491

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine (CID 83899512) is 8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1nc2c(Br)cccn2n1.
What is the InChIKey of 8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LVSAFZHMWMOMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN4O2/c7-4-2-1-3-10-5(4)8-6(9-10)11(12)13/h1-3H.
What are the key properties of 8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 243.02 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 83899512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).