2-tert-butyl-6-(2-iodopropan-2-yl)pyridine

C12H18IN — CID 137391001

IUPAC2-tert-butyl-6-(2-iodopropan-2-yl)pyridine
SMILESCC(C)(C)c1cccc(C(C)(C)I)n1
InChIInChI=1S/C12H18IN/c1-11(2,3)9-7-6-8-10(14-9)12(4,5)13/h6-8H,1-5H3
InChIKeyVWJQECDTEYKFGP-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.05
Rot. Bonds1

About 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine

2-tert-butyl-6-(2-iodopropan-2-yl)pyridine (PubChem CID 137391001) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-iodopropan-2-yl)pyridine
PubChem CID137391001
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name2-tert-butyl-6-(2-iodopropan-2-yl)pyridine
SMILESCC(C)(C)c1cccc(C(C)(C)I)n1
InChIInChI=1S/C12H18IN/c1-11(2,3)9-7-6-8-10(14-9)12(4,5)13/h6-8H,1-5H3
InChIKeyVWJQECDTEYKFGP-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.05
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'}

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Related Compounds

2,6-Lutidine
CID 7937
2,4,6-Trimethylpyridine
CID 7953
2-Isobutylpyridine
CID 61385
Sib 1893
CID 5311432
2,3,6-Trimethylpyridine
CID 15100
6-Ethyl-2-picoline
CID 14287
2,6-Diphenylpyridine
CID 72920
2,6-Di-tert-butylpyridine
CID 68510
2,6-Di-tert-butyl-4-methylpyridine
CID 98898
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
Pyridine, 2-(1-butylpentyl)-
CID 137778
2-Methyl-6-(4-phenylbut-1-ynyl)pyridine
CID 11424570

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine?
The IUPAC name of 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine (CID 137391001) is 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine?
The canonical SMILES for 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine is CC(C)(C)c1cccc(C(C)(C)I)n1.
What is the InChIKey of 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine?
The InChIKey is VWJQECDTEYKFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN/c1-11(2,3)9-7-6-8-10(14-9)12(4,5)13/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine?
2-tert-butyl-6-(2-iodopropan-2-yl)pyridine has a molecular weight of 303.19 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-iodopropan-2-yl)pyridine is sourced from PubChem (CID 137391001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).