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

C6H3BrN4O2 — CID 83899513

IUPAC6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1nc2ccc(Br)cn2n1
InChIInChI=1S/C6H3BrN4O2/c7-4-1-2-5-8-6(11(12)13)9-10(5)3-4/h1-3H
InChIKeyPJJDIPDAFZKAFO-UHFFFAOYSA-N
MW243.02 g/mol
LogP1.40
Rot. Bonds1

About 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine

6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 83899513) has the molecular formula C6H3BrN4O2 and a molecular weight of 243.02 g/mol. Its IUPAC name is 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID83899513
Molecular FormulaC6H3BrN4O2
Molecular Weight243.02 g/mol
Exact Mass241.94
IUPAC Name6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1nc2ccc(Br)cn2n1
InChIInChI=1S/C6H3BrN4O2/c7-4-1-2-5-8-6(11(12)13)9-10(5)3-4/h1-3H
InChIKeyPJJDIPDAFZKAFO-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-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83880374
8-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83899512
5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine
CID 103099159
6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257760
7-bromo-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 83903186
1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-2-amine
CID 116989892
4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine
CID 116989906
3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 114156336
6-bromo-2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130504
6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128802
4-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-bromophenyl)butan-1-one
CID 103098804
2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide
CID 115356742

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine (CID 83899513) is 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1nc2ccc(Br)cn2n1.
What is the InChIKey of 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PJJDIPDAFZKAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN4O2/c7-4-1-2-5-8-6(11(12)13)9-10(5)3-4/h1-3H.
What are the key properties of 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
6-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 6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 83899513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).