2-(1-bromocyclobutyl)sulfanylpyridine

C9H10BrNS — CID 174783120

IUPAC2-(1-bromocyclobutyl)sulfanylpyridine
SMILESBrC1(Sc2ccccn2)CCC1
InChIInChI=1S/C9H10BrNS/c10-9(5-3-6-9)12-8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2
InChIKeyCPJQMIUBEGMVJW-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.45
Rot. Bonds2

About 2-(1-bromocyclobutyl)sulfanylpyridine

2-(1-bromocyclobutyl)sulfanylpyridine (PubChem CID 174783120) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 2-(1-bromocyclobutyl)sulfanylpyridine.

Molecular Properties

Compound Name2-(1-bromocyclobutyl)sulfanylpyridine
PubChem CID174783120
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name2-(1-bromocyclobutyl)sulfanylpyridine
SMILESBrC1(Sc2ccccn2)CCC1
InChIInChI=1S/C9H10BrNS/c10-9(5-3-6-9)12-8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2
InChIKeyCPJQMIUBEGMVJW-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromocyclobutyl)sulfanylpyridine?
The IUPAC name of 2-(1-bromocyclobutyl)sulfanylpyridine (CID 174783120) is 2-(1-bromocyclobutyl)sulfanylpyridine.
What is the SMILES notation for 2-(1-bromocyclobutyl)sulfanylpyridine?
The canonical SMILES for 2-(1-bromocyclobutyl)sulfanylpyridine is BrC1(Sc2ccccn2)CCC1.
What is the InChIKey of 2-(1-bromocyclobutyl)sulfanylpyridine?
The InChIKey is CPJQMIUBEGMVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c10-9(5-3-6-9)12-8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2.
What are the key properties of 2-(1-bromocyclobutyl)sulfanylpyridine?
2-(1-bromocyclobutyl)sulfanylpyridine has a molecular weight of 244.16 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromocyclobutyl)sulfanylpyridine is sourced from PubChem (CID 174783120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).