2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine

C11H9BrN2S — CID 164651365

IUPAC2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine
SMILESCc1cccnc1Sc1cccc(Br)n1
InChIInChI=1S/C11H9BrN2S/c1-8-4-3-7-13-11(8)15-10-6-2-5-9(12)14-10/h2-7H,1H3
InChIKeyGWTHWSSTBXBDLH-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.70
Rot. Bonds2

About 2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine

2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine (PubChem CID 164651365) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine
PubChem CID164651365
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine
SMILESCc1cccnc1Sc1cccc(Br)n1
InChIInChI=1S/C11H9BrN2S/c1-8-4-3-7-13-11(8)15-10-6-2-5-9(12)14-10/h2-7H,1H3
InChIKeyGWTHWSSTBXBDLH-UHFFFAOYSA-N
XLogP3.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine?
The IUPAC name of 2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine (CID 164651365) is 2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine.
What is the SMILES notation for 2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine?
The canonical SMILES for 2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine is Cc1cccnc1Sc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine?
The InChIKey is GWTHWSSTBXBDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c1-8-4-3-7-13-11(8)15-10-6-2-5-9(12)14-10/h2-7H,1H3.
What are the key properties of 2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine?
2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine has a molecular weight of 281.18 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3-methyl-2-pyridinyl)sulfanyl]pyridine is sourced from PubChem (CID 164651365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).