2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine

C12H14ClN3 — CID 84797851

IUPAC2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine
SMILESCC(C)(C)c1ccnn1-c1cccc(Cl)n1
InChIInChI=1S/C12H14ClN3/c1-12(2,3)9-7-8-14-16(9)11-6-4-5-10(13)15-11/h4-8H,1-3H3
InChIKeyUMNTYJVGNABNCO-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.22
Rot. Bonds1

About 2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine

2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine (PubChem CID 84797851) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine.

Molecular Properties

Compound Name2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine
PubChem CID84797851
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine
SMILESCC(C)(C)c1ccnn1-c1cccc(Cl)n1
InChIInChI=1S/C12H14ClN3/c1-12(2,3)9-7-8-14-16(9)11-6-4-5-10(13)15-11/h4-8H,1-3H3
InChIKeyUMNTYJVGNABNCO-UHFFFAOYSA-N
XLogP3.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.22
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-(5-tert-butylpyrazol-1-yl)-6-chloropyridine?
The IUPAC name of 2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine (CID 84797851) is 2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine.
What is the SMILES notation for 2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine?
The canonical SMILES for 2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine is CC(C)(C)c1ccnn1-c1cccc(Cl)n1.
What is the InChIKey of 2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine?
The InChIKey is UMNTYJVGNABNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-12(2,3)9-7-8-14-16(9)11-6-4-5-10(13)15-11/h4-8H,1-3H3.
What are the key properties of 2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine?
2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine has a molecular weight of 235.72 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine is sourced from PubChem (CID 84797851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).