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

C8H7BrN4 — CID 62958831

IUPAC5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCc1nc(-c2ccc(Br)cn2)n[nH]1
InChIInChI=1S/C8H7BrN4/c1-5-11-8(13-12-5)7-3-2-6(9)4-10-7/h2-4H,1H3,(H,11,12,13)
InChIKeyJXIMENQPNOTKHN-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.94
Rot. Bonds1

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

5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 62958831) has the molecular formula C8H7BrN4 and a molecular weight of 239.08 g/mol. Its IUPAC name is 5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID62958831
Molecular FormulaC8H7BrN4
Molecular Weight239.08 g/mol
Exact Mass237.99
IUPAC Name5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCc1nc(-c2ccc(Br)cn2)n[nH]1
InChIInChI=1S/C8H7BrN4/c1-5-11-8(13-12-5)7-3-2-6(9)4-10-7/h2-4H,1H3,(H,11,12,13)
InChIKeyJXIMENQPNOTKHN-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine (CID 62958831) is 5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine is Cc1nc(-c2ccc(Br)cn2)n[nH]1.
What is the InChIKey of 5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is JXIMENQPNOTKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4/c1-5-11-8(13-12-5)7-3-2-6(9)4-10-7/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine?
5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 239.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 62958831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).