5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine

C11H16BrNS — CID 107754022

IUPAC5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine
SMILESCc1cc(Br)cnc1SC(C)C(C)C
InChIInChI=1S/C11H16BrNS/c1-7(2)9(4)14-11-8(3)5-10(12)6-13-11/h5-7,9H,1-4H3
InChIKeyAVKFGHFUPRRRFF-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.29
Rot. Bonds3

About 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine

5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine (PubChem CID 107754022) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine
PubChem CID107754022
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine
SMILESCc1cc(Br)cnc1SC(C)C(C)C
InChIInChI=1S/C11H16BrNS/c1-7(2)9(4)14-11-8(3)5-10(12)6-13-11/h5-7,9H,1-4H3
InChIKeyAVKFGHFUPRRRFF-UHFFFAOYSA-N
XLogP4.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-Bromo-2-(tert-butylsulfanyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine?
The IUPAC name of 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine (CID 107754022) is 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine?
The canonical SMILES for 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine is Cc1cc(Br)cnc1SC(C)C(C)C.
What is the InChIKey of 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine?
The InChIKey is AVKFGHFUPRRRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-7(2)9(4)14-11-8(3)5-10(12)6-13-11/h5-7,9H,1-4H3.
What are the key properties of 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine?
5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine has a molecular weight of 274.23 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine is sourced from PubChem (CID 107754022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).