2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine

C11H12BrN3 — CID 171783811

IUPAC2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine
SMILESCC(C)n1cc(-c2cccc(Br)n2)cn1
InChIInChI=1S/C11H12BrN3/c1-8(2)15-7-9(6-13-15)10-4-3-5-11(12)14-10/h3-8H,1-2H3
InChIKeyHYNHEUYINGKUTR-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.29
Rot. Bonds2

About 2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine

2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine (PubChem CID 171783811) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine
PubChem CID171783811
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine
SMILESCC(C)n1cc(-c2cccc(Br)n2)cn1
InChIInChI=1S/C11H12BrN3/c1-8(2)15-7-9(6-13-15)10-4-3-5-11(12)14-10/h3-8H,1-2H3
InChIKeyHYNHEUYINGKUTR-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-propan-2-ylpyrazol-4-yl)pyridine?
The IUPAC name of 2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine (CID 171783811) is 2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine is CC(C)n1cc(-c2cccc(Br)n2)cn1.
What is the InChIKey of 2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine?
The InChIKey is HYNHEUYINGKUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8(2)15-7-9(6-13-15)10-4-3-5-11(12)14-10/h3-8H,1-2H3.
What are the key properties of 2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine?
2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine has a molecular weight of 266.14 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine is sourced from PubChem (CID 171783811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).