2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine

C19H15BrClNS — CID 14551269

IUPAC2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine
SMILESCCSc1cc(-c2ccc(Cl)cc2)nc(-c2cccc(Br)c2)c1
InChIInChI=1S/C19H15BrClNS/c1-2-23-17-11-18(13-6-8-16(21)9-7-13)22-19(12-17)14-4-3-5-15(20)10-14/h3-12H,2H2,1H3
InChIKeyPAHQSUFJXAJEQG-UHFFFAOYSA-N
MW404.76 g/mol
LogP6.94
Rot. Bonds4

About 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine

2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine (PubChem CID 14551269) has the molecular formula C19H15BrClNS and a molecular weight of 404.76 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine
PubChem CID14551269
Molecular FormulaC19H15BrClNS
Molecular Weight404.76 g/mol
Exact Mass402.98
IUPAC Name2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine
SMILESCCSc1cc(-c2ccc(Cl)cc2)nc(-c2cccc(Br)c2)c1
InChIInChI=1S/C19H15BrClNS/c1-2-23-17-11-18(13-6-8-16(21)9-7-13)22-19(12-17)14-4-3-5-15(20)10-14/h3-12H,2H2,1H3
InChIKeyPAHQSUFJXAJEQG-UHFFFAOYSA-N
XLogP6.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.76
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine
CID 57468750
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
CID 4266918
2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691
2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine
CID 14551217
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
CID 79440116
4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359610
1-chloro-4-ethylsulfanylbenzene
CID 5324154
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine?
The IUPAC name of 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine (CID 14551269) is 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine.
What is the SMILES notation for 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine?
The canonical SMILES for 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine is CCSc1cc(-c2ccc(Cl)cc2)nc(-c2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine?
The InChIKey is PAHQSUFJXAJEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNS/c1-2-23-17-11-18(13-6-8-16(21)9-7-13)22-19(12-17)14-4-3-5-15(20)10-14/h3-12H,2H2,1H3.
What are the key properties of 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine?
2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine has a molecular weight of 404.76 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine is sourced from PubChem (CID 14551269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).