3-benzylsulfanyl-5-bromopyridine

C12H10BrNS — CID 71076689

IUPAC3-benzylsulfanyl-5-bromopyridine
SMILESBrc1cncc(SCc2ccccc2)c1
InChIInChI=1S/C12H10BrNS/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYSBQTJKHCGPUHT-UHFFFAOYSA-N
MW280.19 g/mol
LogP4.14
Rot. Bonds3

About 3-benzylsulfanyl-5-bromopyridine

3-benzylsulfanyl-5-bromopyridine (PubChem CID 71076689) has the molecular formula C12H10BrNS and a molecular weight of 280.19 g/mol. Its IUPAC name is 3-benzylsulfanyl-5-bromopyridine.

Molecular Properties

Compound Name3-benzylsulfanyl-5-bromopyridine
PubChem CID71076689
Molecular FormulaC12H10BrNS
Molecular Weight280.19 g/mol
Exact Mass278.97
IUPAC Name3-benzylsulfanyl-5-bromopyridine
SMILESBrc1cncc(SCc2ccccc2)c1
InChIInChI=1S/C12H10BrNS/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYSBQTJKHCGPUHT-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzylsulfanyl-5-methylpyridine
CID 58349834
3-bromo-5-[(3-bromophenyl)sulfanylmethyl]pyridine
CID 115609057
3-benzylsulfanyl-6-bromoquinoline
CID 139226938
4-[(5-bromo-3-pyridinyl)methylsulfanyl]aniline
CID 104797912
[4-[(5-bromo-3-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 113455924
2-[4-[(5-bromo-3-pyridinyl)methylsulfanyl]phenyl]acetic acid
CID 113454056
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
3-bromo-5-[(2-methylphenyl)sulfanylmethyl]pyridine
CID 115590101
3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine
CID 115580538
N-[[3-[(5-bromo-3-pyridinyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 104811507
5-benzylsulfanyl-3-bromo-2-(difluoromethyl)pyridine;propane
CID 144706546
3-bromo-5-phenylmethoxypyridine
CID 15389198

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-5-bromopyridine?
The IUPAC name of 3-benzylsulfanyl-5-bromopyridine (CID 71076689) is 3-benzylsulfanyl-5-bromopyridine.
What is the SMILES notation for 3-benzylsulfanyl-5-bromopyridine?
The canonical SMILES for 3-benzylsulfanyl-5-bromopyridine is Brc1cncc(SCc2ccccc2)c1.
What is the InChIKey of 3-benzylsulfanyl-5-bromopyridine?
The InChIKey is YSBQTJKHCGPUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNS/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 3-benzylsulfanyl-5-bromopyridine?
3-benzylsulfanyl-5-bromopyridine has a molecular weight of 280.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-5-bromopyridine is sourced from PubChem (CID 71076689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).