3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine

C11H9BrN2S — CID 106878334

IUPAC3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine
SMILESCc1ccnc(Sc2ccncc2)c1Br
InChIInChI=1S/C11H9BrN2S/c1-8-2-7-14-11(10(8)12)15-9-3-5-13-6-4-9/h2-7H,1H3
InChIKeySYMCJJTZOCRJAB-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.70
Rot. Bonds2

About 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine

3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine (PubChem CID 106878334) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine
PubChem CID106878334
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine
SMILESCc1ccnc(Sc2ccncc2)c1Br
InChIInChI=1S/C11H9BrN2S/c1-8-2-7-14-11(10(8)12)15-9-3-5-13-6-4-9/h2-7H,1H3
InChIKeySYMCJJTZOCRJAB-UHFFFAOYSA-N
XLogP3.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenol
CID 106876320
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine
CID 106878316
N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 106878206
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
3-bromo-4-methyl-2-propylsulfanylpyridine
CID 106878163
5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 106878344
3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
CID 107754063
6-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 106875322
3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine
CID 101475776
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 106875336
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80926989

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine?
The IUPAC name of 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine (CID 106878334) is 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine?
The canonical SMILES for 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine is Cc1ccnc(Sc2ccncc2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine?
The InChIKey is SYMCJJTZOCRJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c1-8-2-7-14-11(10(8)12)15-9-3-5-13-6-4-9/h2-7H,1H3.
What are the key properties of 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine?
3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine has a molecular weight of 281.18 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine is sourced from PubChem (CID 106878334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).