5-bromo-3-nitro-2-(triazol-1-yl)pyridine

C7H4BrN5O2 — CID 133061285

IUPAC5-bromo-3-nitro-2-(triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1-n1ccnn1
InChIInChI=1S/C7H4BrN5O2/c8-5-3-6(13(14)15)7(9-4-5)12-2-1-10-11-12/h1-4H
InChIKeyVXBGBYZDPHWSMY-UHFFFAOYSA-N
MW270.05 g/mol
LogP1.33
Rot. Bonds2

About 5-bromo-3-nitro-2-(triazol-1-yl)pyridine

5-bromo-3-nitro-2-(triazol-1-yl)pyridine (PubChem CID 133061285) has the molecular formula C7H4BrN5O2 and a molecular weight of 270.05 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-(triazol-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-(triazol-1-yl)pyridine
PubChem CID133061285
Molecular FormulaC7H4BrN5O2
Molecular Weight270.05 g/mol
Exact Mass268.95
IUPAC Name5-bromo-3-nitro-2-(triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1-n1ccnn1
InChIInChI=1S/C7H4BrN5O2/c8-5-3-6(13(14)15)7(9-4-5)12-2-1-10-11-12/h1-4H
InChIKeyVXBGBYZDPHWSMY-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-nitro-2-(triazol-1-yl)pyridine
CID 133054234
5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 61373410
3-fluoro-5-nitro-2-(triazol-1-yl)pyridine
CID 133058094
1-(5-bromo-3-nitro-2-pyridinyl)benzotriazole
CID 61374153
5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
CID 61375860
5-(5-bromo-3-nitro-2-pyridinyl)-5-azaspiro[2.4]heptane
CID 167947252
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 61230177
3-(5-bromo-3-nitro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369355
1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine
CID 61297983
5-bromo-2-(4-tert-butylpiperidin-1-yl)-3-nitropyridine
CID 62085266
5-bromo-2-(4-ethylpiperidin-1-yl)-3-nitropyridine
CID 61421763
3-nitro-4-(triazol-1-yl)aniline
CID 121330411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-(triazol-1-yl)pyridine?
The IUPAC name of 5-bromo-3-nitro-2-(triazol-1-yl)pyridine (CID 133061285) is 5-bromo-3-nitro-2-(triazol-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-(triazol-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-nitro-2-(triazol-1-yl)pyridine is O=[N+]([O-])c1cc(Br)cnc1-n1ccnn1.
What is the InChIKey of 5-bromo-3-nitro-2-(triazol-1-yl)pyridine?
The InChIKey is VXBGBYZDPHWSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN5O2/c8-5-3-6(13(14)15)7(9-4-5)12-2-1-10-11-12/h1-4H.
What are the key properties of 5-bromo-3-nitro-2-(triazol-1-yl)pyridine?
5-bromo-3-nitro-2-(triazol-1-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 5-bromo-3-nitro-2-(triazol-1-yl)pyridine is sourced from PubChem (CID 133061285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).