3-bromo-5-(1,2,4-triazol-1-yl)pyridine

C7H5BrN4 — CID 84689555

IUPAC3-bromo-5-(1,2,4-triazol-1-yl)pyridine
SMILESBrc1cncc(-n2cncn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-1-7(3-9-2-6)12-5-10-4-11-12/h1-5H
InChIKeyZTSLTTRRSSZKTH-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.42
Rot. Bonds1

About 3-bromo-5-(1,2,4-triazol-1-yl)pyridine

3-bromo-5-(1,2,4-triazol-1-yl)pyridine (PubChem CID 84689555) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 3-bromo-5-(1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(1,2,4-triazol-1-yl)pyridine
PubChem CID84689555
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name3-bromo-5-(1,2,4-triazol-1-yl)pyridine
SMILESBrc1cncc(-n2cncn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-1-7(3-9-2-6)12-5-10-4-11-12/h1-5H
InChIKeyZTSLTTRRSSZKTH-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 3-bromo-5-(1,2,4-triazol-1-yl)pyridine (CID 84689555) is 3-bromo-5-(1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-(1,2,4-triazol-1-yl)pyridine is Brc1cncc(-n2cncn2)c1.
What is the InChIKey of 3-bromo-5-(1,2,4-triazol-1-yl)pyridine?
The InChIKey is ZTSLTTRRSSZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-6-1-7(3-9-2-6)12-5-10-4-11-12/h1-5H.
What are the key properties of 3-bromo-5-(1,2,4-triazol-1-yl)pyridine?
3-bromo-5-(1,2,4-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 3-bromo-5-(1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 84689555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).