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

C11H16IN — CID 138506536

IUPAC2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(C)(C)I)nc1
InChIInChI=1S/C11H16IN/c1-8(2)9-5-6-10(13-7-9)11(3,4)12/h5-8H,1-4H3
InChIKeyLNINWWOYIBIDMD-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.88
Rot. Bonds2

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

2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine (PubChem CID 138506536) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine
PubChem CID138506536
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(C)(C)I)nc1
InChIInChI=1S/C11H16IN/c1-8(2)9-5-6-10(13-7-9)11(3,4)12/h5-8H,1-4H3
InChIKeyLNINWWOYIBIDMD-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 2-(2-iodopropan-2-yl)-5-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

Related Compounds

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
CID 135234346
2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine
CID 166491535
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
5-(1-chloroethyl)-2-[difluoro(iodo)methyl]pyridine
CID 89289651
2-(4,4-dimethylpentan-2-yl)-5-propan-2-ylpyridine
CID 157318275
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol
CID 177140197
2-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanedial
CID 166650530
tert-butyl 5-propan-2-ylpyridine-2-carboxylate
CID 133061148
1-tert-butyl-4-propan-2-ylbenzene;2,5-ditert-butylpyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;bis(2,5-di(propan-2-yl)pyrimidine)
CID 158824456
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
1-[6-[chloro(difluoro)methyl]-3-pyridinyl]ethanethiol
CID 88935375

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine?
The IUPAC name of 2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine (CID 138506536) is 2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine.
What is the SMILES notation for 2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine?
The canonical SMILES for 2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine is CC(C)c1ccc(C(C)(C)I)nc1.
What is the InChIKey of 2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine?
The InChIKey is LNINWWOYIBIDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-8(2)9-5-6-10(13-7-9)11(3,4)12/h5-8H,1-4H3.
What are the key properties of 2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine?
2-(2-iodopropan-2-yl)-5-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 2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine is sourced from PubChem (CID 138506536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).