5-bromo-2-chloro-3-methylsulfanylpyridine

C6H5BrClNS — CID 58447921

IUPAC5-bromo-2-chloro-3-methylsulfanylpyridine
SMILESCSc1cc(Br)cnc1Cl
InChIInChI=1S/C6H5BrClNS/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKeyRXCNJXURGGQHOW-UHFFFAOYSA-N
MW238.54 g/mol
LogP3.22
Rot. Bonds1

About 5-bromo-2-chloro-3-methylsulfanylpyridine

5-bromo-2-chloro-3-methylsulfanylpyridine (PubChem CID 58447921) has the molecular formula C6H5BrClNS and a molecular weight of 238.54 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-methylsulfanylpyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-methylsulfanylpyridine
PubChem CID58447921
Molecular FormulaC6H5BrClNS
Molecular Weight238.54 g/mol
Exact Mass236.90
IUPAC Name5-bromo-2-chloro-3-methylsulfanylpyridine
SMILESCSc1cc(Br)cnc1Cl
InChIInChI=1S/C6H5BrClNS/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKeyRXCNJXURGGQHOW-UHFFFAOYSA-N
XLogP3.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.54
LogP ≤ 53.22
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 5-bromo-2-chloro-3-methylsulfanylpyridine?
The IUPAC name of 5-bromo-2-chloro-3-methylsulfanylpyridine (CID 58447921) is 5-bromo-2-chloro-3-methylsulfanylpyridine.
What is the SMILES notation for 5-bromo-2-chloro-3-methylsulfanylpyridine?
The canonical SMILES for 5-bromo-2-chloro-3-methylsulfanylpyridine is CSc1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-methylsulfanylpyridine?
The InChIKey is RXCNJXURGGQHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNS/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3.
What are the key properties of 5-bromo-2-chloro-3-methylsulfanylpyridine?
5-bromo-2-chloro-3-methylsulfanylpyridine has a molecular weight of 238.54 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-methylsulfanylpyridine is sourced from PubChem (CID 58447921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).