5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine

C12H9Br2NS — CID 115622309

IUPAC5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine
SMILESBrc1ccc(SCc2ccc(Br)cn2)cc1
InChIInChI=1S/C12H9Br2NS/c13-9-2-5-12(6-3-9)16-8-11-4-1-10(14)7-15-11/h1-7H,8H2
InChIKeyGDDNAOKHNCFQOV-UHFFFAOYSA-N
MW359.09 g/mol
LogP4.90
Rot. Bonds3

About 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine

5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine (PubChem CID 115622309) has the molecular formula C12H9Br2NS and a molecular weight of 359.09 g/mol. Its IUPAC name is 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine
PubChem CID115622309
Molecular FormulaC12H9Br2NS
Molecular Weight359.09 g/mol
Exact Mass356.88
IUPAC Name5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine
SMILESBrc1ccc(SCc2ccc(Br)cn2)cc1
InChIInChI=1S/C12H9Br2NS/c13-9-2-5-12(6-3-9)16-8-11-4-1-10(14)7-15-11/h1-7H,8H2
InChIKeyGDDNAOKHNCFQOV-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.09
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)sulfanylmethyl]-5-methylpyridine;hydrochloride
CID 45260658
1-[4-[(5-bromo-2-pyridinyl)methylsulfanyl]phenyl]ethanol
CID 104811538
1-[4-[(5-bromo-2-pyridinyl)methylsulfanyl]phenyl]-N-ethylethanamine
CID 104811455
N-[[4-[(5-bromo-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 104811524
3-[(5-bromo-2-pyridinyl)methylsulfanyl]aniline
CID 104798026
5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059893
5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
CID 115622303
2-[(5-bromo-2-pyridinyl)methylsulfanyl]benzoic acid
CID 104795999
N-[[3-[(5-bromo-2-pyridinyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 104811511
2-[(5-bromo-2-pyridinyl)methylsulfanyl]-1,3-benzothiazole
CID 113234593
2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847844
5-bromo-2-(3-methylbutylsulfanylmethyl)pyridine
CID 103931443

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine?
The IUPAC name of 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine (CID 115622309) is 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine is Brc1ccc(SCc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine?
The InChIKey is GDDNAOKHNCFQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NS/c13-9-2-5-12(6-3-9)16-8-11-4-1-10(14)7-15-11/h1-7H,8H2.
What are the key properties of 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine?
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine has a molecular weight of 359.09 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 115622309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).