2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine

C11H12ClN3 — CID 154591643

IUPAC2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine
SMILESCC(C)c1cn(-c2cccc(Cl)n2)cn1
InChIInChI=1S/C11H12ClN3/c1-8(2)9-6-15(7-13-9)11-5-3-4-10(12)14-11/h3-8H,1-2H3
InChIKeyLINGDSWITLRPMG-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine

2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine (PubChem CID 154591643) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine
PubChem CID154591643
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine
SMILESCC(C)c1cn(-c2cccc(Cl)n2)cn1
InChIInChI=1S/C11H12ClN3/c1-8(2)9-6-15(7-13-9)11-5-3-4-10(12)14-11/h3-8H,1-2H3
InChIKeyLINGDSWITLRPMG-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.04
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-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine?
The IUPAC name of 2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine (CID 154591643) is 2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine?
The canonical SMILES for 2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine is CC(C)c1cn(-c2cccc(Cl)n2)cn1.
What is the InChIKey of 2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine?
The InChIKey is LINGDSWITLRPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8(2)9-6-15(7-13-9)11-5-3-4-10(12)14-11/h3-8H,1-2H3.
What are the key properties of 2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine?
2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine has a molecular weight of 221.69 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridine is sourced from PubChem (CID 154591643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).