2-iodo-3-propan-2-ylsulfonylpyridine

C8H10INO2S — CID 86669848

IUPAC2-iodo-3-propan-2-ylsulfonylpyridine
SMILESCC(C)S(=O)(=O)c1cccnc1I
InChIInChI=1S/C8H10INO2S/c1-6(2)13(11,12)7-4-3-5-10-8(7)9/h3-6H,1-2H3
InChIKeyWXXDDRFFAGKTEU-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.87
Rot. Bonds2

About 2-iodo-3-propan-2-ylsulfonylpyridine

2-iodo-3-propan-2-ylsulfonylpyridine (PubChem CID 86669848) has the molecular formula C8H10INO2S and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-iodo-3-propan-2-ylsulfonylpyridine.

Molecular Properties

Compound Name2-iodo-3-propan-2-ylsulfonylpyridine
PubChem CID86669848
Molecular FormulaC8H10INO2S
Molecular Weight311.14 g/mol
Exact Mass310.95
IUPAC Name2-iodo-3-propan-2-ylsulfonylpyridine
SMILESCC(C)S(=O)(=O)c1cccnc1I
InChIInChI=1S/C8H10INO2S/c1-6(2)13(11,12)7-4-3-5-10-8(7)9/h3-6H,1-2H3
InChIKeyWXXDDRFFAGKTEU-UHFFFAOYSA-N
XLogP1.87
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(3-propan-2-ylsulfonyl-2-pyridinyl)methylcarbamic acid
CID 69120624
2-iodo-3-propan-2-ylpyridine
CID 23436890
2-propan-2-ylsulfonylphenol
CID 587650
4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine
CID 90134190
2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142786204
2-(3,3-dimethylbutan-2-yl)-3-iodopyridine
CID 176739161
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine
CID 87250804
2-amino-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 62144955
ethyl (2S,3R)-2-(3-propan-2-ylsulfonyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 59479423
N-bromo-2-iodopyridin-3-amine
CID 91482689
2-iodopyridin-3-ol;hydrochloride
CID 141441787

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-propan-2-ylsulfonylpyridine?
The IUPAC name of 2-iodo-3-propan-2-ylsulfonylpyridine (CID 86669848) is 2-iodo-3-propan-2-ylsulfonylpyridine.
What is the SMILES notation for 2-iodo-3-propan-2-ylsulfonylpyridine?
The canonical SMILES for 2-iodo-3-propan-2-ylsulfonylpyridine is CC(C)S(=O)(=O)c1cccnc1I.
What is the InChIKey of 2-iodo-3-propan-2-ylsulfonylpyridine?
The InChIKey is WXXDDRFFAGKTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO2S/c1-6(2)13(11,12)7-4-3-5-10-8(7)9/h3-6H,1-2H3.
What are the key properties of 2-iodo-3-propan-2-ylsulfonylpyridine?
2-iodo-3-propan-2-ylsulfonylpyridine has a molecular weight of 311.14 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-propan-2-ylsulfonylpyridine is sourced from PubChem (CID 86669848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).