2-bromo-4-nitro-5-(triazol-2-yl)pyridine

C7H4BrN5O2 — CID 156539643

IUPAC2-bromo-4-nitro-5-(triazol-2-yl)pyridine
SMILESO=[N+]([O-])c1cc(Br)ncc1-n1nccn1
InChIInChI=1S/C7H4BrN5O2/c8-7-3-5(13(14)15)6(4-9-7)12-10-1-2-11-12/h1-4H
InChIKeyPIZUIXVVSXKKKW-UHFFFAOYSA-N
MW270.05 g/mol
LogP1.33
Rot. Bonds2

About 2-bromo-4-nitro-5-(triazol-2-yl)pyridine

2-bromo-4-nitro-5-(triazol-2-yl)pyridine (PubChem CID 156539643) has the molecular formula C7H4BrN5O2 and a molecular weight of 270.05 g/mol. Its IUPAC name is 2-bromo-4-nitro-5-(triazol-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-4-nitro-5-(triazol-2-yl)pyridine
PubChem CID156539643
Molecular FormulaC7H4BrN5O2
Molecular Weight270.05 g/mol
Exact Mass268.95
IUPAC Name2-bromo-4-nitro-5-(triazol-2-yl)pyridine
SMILESO=[N+]([O-])c1cc(Br)ncc1-n1nccn1
InChIInChI=1S/C7H4BrN5O2/c8-7-3-5(13(14)15)6(4-9-7)12-10-1-2-11-12/h1-4H
InChIKeyPIZUIXVVSXKKKW-UHFFFAOYSA-N
XLogP1.33
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitro-5-(triazol-2-yl)pyridine?
The IUPAC name of 2-bromo-4-nitro-5-(triazol-2-yl)pyridine (CID 156539643) is 2-bromo-4-nitro-5-(triazol-2-yl)pyridine.
What is the SMILES notation for 2-bromo-4-nitro-5-(triazol-2-yl)pyridine?
The canonical SMILES for 2-bromo-4-nitro-5-(triazol-2-yl)pyridine is O=[N+]([O-])c1cc(Br)ncc1-n1nccn1.
What is the InChIKey of 2-bromo-4-nitro-5-(triazol-2-yl)pyridine?
The InChIKey is PIZUIXVVSXKKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN5O2/c8-7-3-5(13(14)15)6(4-9-7)12-10-1-2-11-12/h1-4H.
What are the key properties of 2-bromo-4-nitro-5-(triazol-2-yl)pyridine?
2-bromo-4-nitro-5-(triazol-2-yl)pyridine has a molecular weight of 270.05 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-nitro-5-(triazol-2-yl)pyridine is sourced from PubChem (CID 156539643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).