3-tert-butylsulfanyl-6-iodo-2-methylpyridine

C10H14INS — CID 102543416

IUPAC3-tert-butylsulfanyl-6-iodo-2-methylpyridine
SMILESCc1nc(I)ccc1SC(C)(C)C
InChIInChI=1S/C10H14INS/c1-7-8(13-10(2,3)4)5-6-9(11)12-7/h5-6H,1-4H3
InChIKeyZMJDUFKRBPOFKF-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.89
Rot. Bonds1

About 3-tert-butylsulfanyl-6-iodo-2-methylpyridine

3-tert-butylsulfanyl-6-iodo-2-methylpyridine (PubChem CID 102543416) has the molecular formula C10H14INS and a molecular weight of 307.20 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-6-iodo-2-methylpyridine.

Molecular Properties

Compound Name3-tert-butylsulfanyl-6-iodo-2-methylpyridine
PubChem CID102543416
Molecular FormulaC10H14INS
Molecular Weight307.20 g/mol
Exact Mass306.99
IUPAC Name3-tert-butylsulfanyl-6-iodo-2-methylpyridine
SMILESCc1nc(I)ccc1SC(C)(C)C
InChIInChI=1S/C10H14INS/c1-7-8(13-10(2,3)4)5-6-9(11)12-7/h5-6H,1-4H3
InChIKeyZMJDUFKRBPOFKF-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine
CID 102546175
1-tert-butylsulfanyl-2-chloro-3-iodobenzene
CID 162383071
4-tert-butylsulfanyl-3-methylbenzaldehyde
CID 63804048
6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde
CID 102546448
2-fluoro-6-iodo-3-methylpyridine
CID 130895801
1,4-bis(tert-butylsulfanyl)benzene
CID 784937
2-(2,2-dimethylpropyl)-4-iodopyrimidine
CID 176739126
2-tert-butylsulfanylbicyclo[3.2.1]octa-1,3,5(8)-triene
CID 66888230
2-tert-butylsulfanyl-6-methylpyridin-3-amine
CID 81133216
2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine
CID 155585893
2-tert-butylsulfanyl-6-methylpyridine-3-carboxylic acid
CID 62701421
2-bromo-6-tert-butylsulfanyl-3-methylbenzaldehyde
CID 135387750

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-6-iodo-2-methylpyridine?
The IUPAC name of 3-tert-butylsulfanyl-6-iodo-2-methylpyridine (CID 102543416) is 3-tert-butylsulfanyl-6-iodo-2-methylpyridine.
What is the SMILES notation for 3-tert-butylsulfanyl-6-iodo-2-methylpyridine?
The canonical SMILES for 3-tert-butylsulfanyl-6-iodo-2-methylpyridine is Cc1nc(I)ccc1SC(C)(C)C.
What is the InChIKey of 3-tert-butylsulfanyl-6-iodo-2-methylpyridine?
The InChIKey is ZMJDUFKRBPOFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INS/c1-7-8(13-10(2,3)4)5-6-9(11)12-7/h5-6H,1-4H3.
What are the key properties of 3-tert-butylsulfanyl-6-iodo-2-methylpyridine?
3-tert-butylsulfanyl-6-iodo-2-methylpyridine has a molecular weight of 307.20 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-6-iodo-2-methylpyridine is sourced from PubChem (CID 102543416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).