5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine

C11H16IN — CID 177134609

IUPAC5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(C)(C)I)cn1
InChIInChI=1S/C11H16IN/c1-8(2)10-6-5-9(7-13-10)11(3,4)12/h5-8H,1-4H3
InChIKeyAEAGORYRCRRTLK-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.88
Rot. Bonds2

About 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine

5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine (PubChem CID 177134609) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine
PubChem CID177134609
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(C)(C)I)cn1
InChIInChI=1S/C11H16IN/c1-8(2)10-6-5-9(7-13-10)11(3,4)12/h5-8H,1-4H3
InChIKeyAEAGORYRCRRTLK-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine?
The IUPAC name of 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine (CID 177134609) is 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine?
The canonical SMILES for 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine is CC(C)c1ccc(C(C)(C)I)cn1.
What is the InChIKey of 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine?
The InChIKey is AEAGORYRCRRTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-8(2)10-6-5-9(7-13-10)11(3,4)12/h5-8H,1-4H3.
What are the key properties of 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine?
5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine has a molecular weight of 289.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine is sourced from PubChem (CID 177134609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).