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

C7H5BrN4 — CID 66608206

IUPAC5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine
SMILESBrc1ccc(-c2ncn[nH]2)nc1
InChIInChI=1S/C7H5BrN4/c8-5-1-2-6(9-3-5)7-10-4-11-12-7/h1-4H,(H,10,11,12)
InChIKeyWUPMXGZPJNFYJG-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.63
Rot. Bonds1

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

5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 66608206) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID66608206
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine
SMILESBrc1ccc(-c2ncn[nH]2)nc1
InChIInChI=1S/C7H5BrN4/c8-5-1-2-6(9-3-5)7-10-4-11-12-7/h1-4H,(H,10,11,12)
InChIKeyWUPMXGZPJNFYJG-UHFFFAOYSA-N
XLogP1.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine (CID 66608206) is 5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine is Brc1ccc(-c2ncn[nH]2)nc1.
What is the InChIKey of 5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is WUPMXGZPJNFYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-5-1-2-6(9-3-5)7-10-4-11-12-7/h1-4H,(H,10,11,12).
What are the key properties of 5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine?
5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 225.05 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 66608206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).