3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine

C12H9Br2NS — CID 105368462

IUPAC3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
SMILESCc1cnc(Sc2cccc(Br)c2)c(Br)c1
InChIInChI=1S/C12H9Br2NS/c1-8-5-11(14)12(15-7-8)16-10-4-2-3-9(13)6-10/h2-7H,1H3
InChIKeyBLVJSSKXMPSFCV-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.07
Rot. Bonds2

About 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine

3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine (PubChem CID 105368462) has the molecular formula C12H9Br2NS and a molecular weight of 359.09 g/mol. Its IUPAC name is 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
PubChem CID105368462
Molecular FormulaC12H9Br2NS
Molecular Weight359.09 g/mol
Exact Mass356.88
IUPAC Name3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
SMILESCc1cnc(Sc2cccc(Br)c2)c(Br)c1
InChIInChI=1S/C12H9Br2NS/c1-8-5-11(14)12(15-7-8)16-10-4-2-3-9(13)6-10/h2-7H,1H3
InChIKeyBLVJSSKXMPSFCV-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol
CID 105367489
4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 105366580
2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
CID 80651307
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine
CID 79734548
3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine
CID 114837889
6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine
CID 114073878
2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
CID 66280907
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 105368449

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine?
The IUPAC name of 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine (CID 105368462) is 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine is Cc1cnc(Sc2cccc(Br)c2)c(Br)c1.
What is the InChIKey of 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine?
The InChIKey is BLVJSSKXMPSFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NS/c1-8-5-11(14)12(15-7-8)16-10-4-2-3-9(13)6-10/h2-7H,1H3.
What are the key properties of 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine?
3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine has a molecular weight of 359.09 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine is sourced from PubChem (CID 105368462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).