2-bromo-6-methylsulfanylpyridine

C6H6BrNS — CID 12560807

IUPAC2-bromo-6-methylsulfanylpyridine
SMILESCSc1cccc(Br)n1
InChIInChI=1S/C6H6BrNS/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKeyCWFMGEWBDIDVPZ-UHFFFAOYSA-N
MW204.09 g/mol
LogP2.57
Rot. Bonds1

About 2-bromo-6-methylsulfanylpyridine

2-bromo-6-methylsulfanylpyridine (PubChem CID 12560807) has the molecular formula C6H6BrNS and a molecular weight of 204.09 g/mol. Its IUPAC name is 2-bromo-6-methylsulfanylpyridine.

Molecular Properties

Compound Name2-bromo-6-methylsulfanylpyridine
PubChem CID12560807
Molecular FormulaC6H6BrNS
Molecular Weight204.09 g/mol
Exact Mass202.94
IUPAC Name2-bromo-6-methylsulfanylpyridine
SMILESCSc1cccc(Br)n1
InChIInChI=1S/C6H6BrNS/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKeyCWFMGEWBDIDVPZ-UHFFFAOYSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.57
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-6-methylsulfanylpyridine?
The IUPAC name of 2-bromo-6-methylsulfanylpyridine (CID 12560807) is 2-bromo-6-methylsulfanylpyridine.
What is the SMILES notation for 2-bromo-6-methylsulfanylpyridine?
The canonical SMILES for 2-bromo-6-methylsulfanylpyridine is CSc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-methylsulfanylpyridine?
The InChIKey is CWFMGEWBDIDVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNS/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3.
What are the key properties of 2-bromo-6-methylsulfanylpyridine?
2-bromo-6-methylsulfanylpyridine has a molecular weight of 204.09 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylsulfanylpyridine is sourced from PubChem (CID 12560807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).