2-bromo-6-cyclopentylsulfanylpyridine

C10H12BrNS — CID 63963685

IUPAC2-bromo-6-cyclopentylsulfanylpyridine
SMILESBrc1cccc(SC2CCCC2)n1
InChIInChI=1S/C10H12BrNS/c11-9-6-3-7-10(12-9)13-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyRSULZHLVTPZLIW-UHFFFAOYSA-N
MW258.18 g/mol
LogP3.88
Rot. Bonds2

About 2-bromo-6-cyclopentylsulfanylpyridine

2-bromo-6-cyclopentylsulfanylpyridine (PubChem CID 63963685) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 2-bromo-6-cyclopentylsulfanylpyridine.

Molecular Properties

Compound Name2-bromo-6-cyclopentylsulfanylpyridine
PubChem CID63963685
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name2-bromo-6-cyclopentylsulfanylpyridine
SMILESBrc1cccc(SC2CCCC2)n1
InChIInChI=1S/C10H12BrNS/c11-9-6-3-7-10(12-9)13-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyRSULZHLVTPZLIW-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.88
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-cyclopentylsulfanylpyridine?
The IUPAC name of 2-bromo-6-cyclopentylsulfanylpyridine (CID 63963685) is 2-bromo-6-cyclopentylsulfanylpyridine.
What is the SMILES notation for 2-bromo-6-cyclopentylsulfanylpyridine?
The canonical SMILES for 2-bromo-6-cyclopentylsulfanylpyridine is Brc1cccc(SC2CCCC2)n1.
What is the InChIKey of 2-bromo-6-cyclopentylsulfanylpyridine?
The InChIKey is RSULZHLVTPZLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c11-9-6-3-7-10(12-9)13-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2.
What are the key properties of 2-bromo-6-cyclopentylsulfanylpyridine?
2-bromo-6-cyclopentylsulfanylpyridine has a molecular weight of 258.18 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-cyclopentylsulfanylpyridine is sourced from PubChem (CID 63963685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).