3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine

C12H9BrClNS — CID 114837889

IUPAC3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C12H9BrClNS/c1-8-2-4-10(5-3-8)16-12-11(13)6-9(14)7-15-12/h2-7H,1H3
InChIKeyXEILDGJPIPDKJL-UHFFFAOYSA-N
MW314.64 g/mol
LogP4.96
Rot. Bonds2

About 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine

3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine (PubChem CID 114837889) has the molecular formula C12H9BrClNS and a molecular weight of 314.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine
PubChem CID114837889
Molecular FormulaC12H9BrClNS
Molecular Weight314.64 g/mol
Exact Mass312.93
IUPAC Name3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C12H9BrClNS/c1-8-2-4-10(5-3-8)16-12-11(13)6-9(14)7-15-12/h2-7H,1H3
InChIKeyXEILDGJPIPDKJL-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.64
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine
CID 79733940
3-bromo-5-chloro-2-(2,5-dimethylphenyl)sulfanylpyridine
CID 114837931
4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol
CID 105367489
3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 114837975
2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine
CID 83267819
3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
CID 105368462
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine
CID 79734159
5-bromo-2-(4-methylphenyl)sulfanylpyridine
CID 55219804
4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 105366580
2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine
CID 79734548
S-(4-methylphenyl) 2,5-dichloropyridine-3-carbothioate
CID 2800038

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine?
The IUPAC name of 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine (CID 114837889) is 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine?
The canonical SMILES for 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine is Cc1ccc(Sc2ncc(Cl)cc2Br)cc1.
What is the InChIKey of 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine?
The InChIKey is XEILDGJPIPDKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNS/c1-8-2-4-10(5-3-8)16-12-11(13)6-9(14)7-15-12/h2-7H,1H3.
What are the key properties of 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine?
3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine has a molecular weight of 314.64 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine is sourced from PubChem (CID 114837889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).