3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine

C11H9BrN2S — CID 115580538

IUPAC3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine
SMILESBrc1cncc(CSc2ccccn2)c1
InChIInChI=1S/C11H9BrN2S/c12-10-5-9(6-13-7-10)8-15-11-3-1-2-4-14-11/h1-7H,8H2
InChIKeyOBCOGFFVRIXTST-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.53
Rot. Bonds3

About 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine

3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine (PubChem CID 115580538) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine
PubChem CID115580538
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine
SMILESBrc1cncc(CSc2ccccn2)c1
InChIInChI=1S/C11H9BrN2S/c12-10-5-9(6-13-7-10)8-15-11-3-1-2-4-14-11/h1-7H,8H2
InChIKeyOBCOGFFVRIXTST-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine
CID 104797919
3-bromo-5-[(2-methylphenyl)sulfanylmethyl]pyridine
CID 115590101
3-bromo-5-[(3-bromophenyl)sulfanylmethyl]pyridine
CID 115609057
2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine
CID 62046671
4-[(5-bromo-3-pyridinyl)methylsulfanyl]aniline
CID 104797912
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
CID 104799817
3-benzylsulfanyl-5-bromopyridine
CID 71076689
[4-[(5-bromo-3-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 113455924
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 115877394
5-[(5-bromo-3-pyridinyl)methylsulfanyl]-1,2,4-thiadiazole
CID 104810006
2-[(3,5-dinitrophenyl)methylsulfanyl]pyridine
CID 2817767

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine?
The IUPAC name of 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine (CID 115580538) is 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine.
What is the SMILES notation for 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine?
The canonical SMILES for 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine is Brc1cncc(CSc2ccccn2)c1.
What is the InChIKey of 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine?
The InChIKey is OBCOGFFVRIXTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c12-10-5-9(6-13-7-10)8-15-11-3-1-2-4-14-11/h1-7H,8H2.
What are the key properties of 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine?
3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine has a molecular weight of 281.18 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine is sourced from PubChem (CID 115580538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).