2-bromo-5-tert-butylsulfanyl-4-methylpyridine

C10H14BrNS — CID 102545130

IUPAC2-bromo-5-tert-butylsulfanyl-4-methylpyridine
SMILESCc1cc(Br)ncc1SC(C)(C)C
InChIInChI=1S/C10H14BrNS/c1-7-5-9(11)12-6-8(7)13-10(2,3)4/h5-6H,1-4H3
InChIKeyZVMWPADAUCJARW-UHFFFAOYSA-N
MW260.20 g/mol
LogP4.04
Rot. Bonds1

About 2-bromo-5-tert-butylsulfanyl-4-methylpyridine

2-bromo-5-tert-butylsulfanyl-4-methylpyridine (PubChem CID 102545130) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-bromo-5-tert-butylsulfanyl-4-methylpyridine.

Molecular Properties

Compound Name2-bromo-5-tert-butylsulfanyl-4-methylpyridine
PubChem CID102545130
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name2-bromo-5-tert-butylsulfanyl-4-methylpyridine
SMILESCc1cc(Br)ncc1SC(C)(C)C
InChIInChI=1S/C10H14BrNS/c1-7-5-9(11)12-6-8(7)13-10(2,3)4/h5-6H,1-4H3
InChIKeyZVMWPADAUCJARW-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-tert-butylsulfanyl-4-methylpyridine?
The IUPAC name of 2-bromo-5-tert-butylsulfanyl-4-methylpyridine (CID 102545130) is 2-bromo-5-tert-butylsulfanyl-4-methylpyridine.
What is the SMILES notation for 2-bromo-5-tert-butylsulfanyl-4-methylpyridine?
The canonical SMILES for 2-bromo-5-tert-butylsulfanyl-4-methylpyridine is Cc1cc(Br)ncc1SC(C)(C)C.
What is the InChIKey of 2-bromo-5-tert-butylsulfanyl-4-methylpyridine?
The InChIKey is ZVMWPADAUCJARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-7-5-9(11)12-6-8(7)13-10(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-bromo-5-tert-butylsulfanyl-4-methylpyridine?
2-bromo-5-tert-butylsulfanyl-4-methylpyridine has a molecular weight of 260.20 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-tert-butylsulfanyl-4-methylpyridine is sourced from PubChem (CID 102545130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).