2-iodo-3-propan-2-ylpyridine

C8H10IN — CID 23436890

IUPAC2-iodo-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1I
InChIInChI=1S/C8H10IN/c1-6(2)7-4-3-5-10-8(7)9/h3-6H,1-2H3
InChIKeyJYIIKKDZJLFMRM-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.81
Rot. Bonds1

About 2-iodo-3-propan-2-ylpyridine

2-iodo-3-propan-2-ylpyridine (PubChem CID 23436890) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is 2-iodo-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2-iodo-3-propan-2-ylpyridine
PubChem CID23436890
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC Name2-iodo-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1I
InChIInChI=1S/C8H10IN/c1-6(2)7-4-3-5-10-8(7)9/h3-6H,1-2H3
InChIKeyJYIIKKDZJLFMRM-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide
CID 87649733
2-bromo-3-propan-2-ylpyridine
CID 23436869
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
2-ethoxy-3-propan-2-ylpyridine
CID 58551728
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
2-pentan-2-yl-3-propan-2-ylpyridine
CID 155486125
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
CID 158967293
CID 158967293
2-iodo-3-propan-2-ylsulfonylpyridine
CID 86669848
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
CID 164786458

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-propan-2-ylpyridine?
The IUPAC name of 2-iodo-3-propan-2-ylpyridine (CID 23436890) is 2-iodo-3-propan-2-ylpyridine.
What is the SMILES notation for 2-iodo-3-propan-2-ylpyridine?
The canonical SMILES for 2-iodo-3-propan-2-ylpyridine is CC(C)c1cccnc1I.
What is the InChIKey of 2-iodo-3-propan-2-ylpyridine?
The InChIKey is JYIIKKDZJLFMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN/c1-6(2)7-4-3-5-10-8(7)9/h3-6H,1-2H3.
What are the key properties of 2-iodo-3-propan-2-ylpyridine?
2-iodo-3-propan-2-ylpyridine has a molecular weight of 247.08 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-propan-2-ylpyridine is sourced from PubChem (CID 23436890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).