2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine

C10H11BrN4 — CID 131801140

IUPAC2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESCC(C)n1cnnc1-c1cccc(Br)n1
InChIInChI=1S/C10H11BrN4/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h3-7H,1-2H3
InChIKeyJGZSLGXLSHEGFA-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.68
Rot. Bonds2

About 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine

2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine (PubChem CID 131801140) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine
PubChem CID131801140
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESCC(C)n1cnnc1-c1cccc(Br)n1
InChIInChI=1S/C10H11BrN4/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h3-7H,1-2H3
InChIKeyJGZSLGXLSHEGFA-UHFFFAOYSA-N
XLogP2.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine (CID 131801140) is 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine is CC(C)n1cnnc1-c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is JGZSLGXLSHEGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h3-7H,1-2H3.
What are the key properties of 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 267.13 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 131801140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).