2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine

C18H13BrClNS — CID 14551217

IUPAC2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine
SMILESCSc1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2Br)c1
InChIInChI=1S/C18H13BrClNS/c1-22-14-10-17(12-6-8-13(20)9-7-12)21-18(11-14)15-4-2-3-5-16(15)19/h2-11H,1H3
InChIKeyVJCLXQMMBGOFEE-UHFFFAOYSA-N
MW390.73 g/mol
LogP6.55
Rot. Bonds3

About 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine

2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine (PubChem CID 14551217) has the molecular formula C18H13BrClNS and a molecular weight of 390.73 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine
PubChem CID14551217
Molecular FormulaC18H13BrClNS
Molecular Weight390.73 g/mol
Exact Mass388.96
IUPAC Name2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine
SMILESCSc1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2Br)c1
InChIInChI=1S/C18H13BrClNS/c1-22-14-10-17(12-6-8-13(20)9-7-12)21-18(11-14)15-4-2-3-5-16(15)19/h2-11H,1H3
InChIKeyVJCLXQMMBGOFEE-UHFFFAOYSA-N
XLogP6.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.73
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine
CID 14551214
2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 163296684
2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine
CID 14551269
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
CID 11078715
4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025467
6-(2-bromophenyl)-N-(3-methylsulfanylphenyl)pyridin-2-amine
CID 69038540
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline
CID 150028295
2-bromo-4-(2-bromophenyl)-6-methylpyrimidine
CID 116897341
4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
CID 143206145
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
CID 82790034

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine?
The IUPAC name of 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine (CID 14551217) is 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine.
What is the SMILES notation for 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine?
The canonical SMILES for 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine is CSc1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine?
The InChIKey is VJCLXQMMBGOFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClNS/c1-22-14-10-17(12-6-8-13(20)9-7-12)21-18(11-14)15-4-2-3-5-16(15)19/h2-11H,1H3.
What are the key properties of 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine?
2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine has a molecular weight of 390.73 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine is sourced from PubChem (CID 14551217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).