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

C7H5BrN4 — CID 84689550

IUPAC2-bromo-5-(triazol-1-yl)pyridine
SMILESBrc1ccc(-n2ccnn2)cn1
InChIInChI=1S/C7H5BrN4/c8-7-2-1-6(5-9-7)12-4-3-10-11-12/h1-5H
InChIKeyRBAMVVNHTZWLFY-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.42
Rot. Bonds1

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

2-bromo-5-(triazol-1-yl)pyridine (PubChem CID 84689550) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 2-bromo-5-(triazol-1-yl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(triazol-1-yl)pyridine
PubChem CID84689550
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name2-bromo-5-(triazol-1-yl)pyridine
SMILESBrc1ccc(-n2ccnn2)cn1
InChIInChI=1S/C7H5BrN4/c8-7-2-1-6(5-9-7)12-4-3-10-11-12/h1-5H
InChIKeyRBAMVVNHTZWLFY-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(triazol-1-yl)pyridine
CID 58128556
1-(4-bromophenyl)triazole
CID 13106108
2-benzylsulfanyl-5-(triazol-1-yl)pyridine;ethane
CID 171804943
2-bromo-5-imidazol-1-ylpyridine
CID 66521352
3-bromo-5-(triazol-1-yl)pyridine
CID 84689554
3,5-bis(triazol-1-yl)pyridine
CID 164853015
[1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol
CID 83854134
2-methyl-4-(triazol-1-yl)aniline
CID 82512131
4-fluoro-2-(triazol-1-yl)pyridine
CID 142795340
4-bromo-2-(triazol-1-yl)pyridine
CID 84689537
[4-(triazol-1-yl)phenyl]hydrazine;hydrochloride
CID 19977103
4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine
CID 135279927

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(triazol-1-yl)pyridine?
The IUPAC name of 2-bromo-5-(triazol-1-yl)pyridine (CID 84689550) is 2-bromo-5-(triazol-1-yl)pyridine.
What is the SMILES notation for 2-bromo-5-(triazol-1-yl)pyridine?
The canonical SMILES for 2-bromo-5-(triazol-1-yl)pyridine is Brc1ccc(-n2ccnn2)cn1.
What is the InChIKey of 2-bromo-5-(triazol-1-yl)pyridine?
The InChIKey is RBAMVVNHTZWLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-7-2-1-6(5-9-7)12-4-3-10-11-12/h1-5H.
What are the key properties of 2-bromo-5-(triazol-1-yl)pyridine?
2-bromo-5-(triazol-1-yl)pyridine has a molecular weight of 225.05 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(triazol-1-yl)pyridine is sourced from PubChem (CID 84689550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).