3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine

C15H9Cl2NS — CID 4848834

IUPAC3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine
SMILESClc1cnc(Sc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C15H9Cl2NS/c16-12-8-14(17)15(18-9-12)19-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H
InChIKeyQBBYXFVSGJFCCF-UHFFFAOYSA-N
MW306.22 g/mol
LogP5.69
Rot. Bonds2

About 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine

3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine (PubChem CID 4848834) has the molecular formula C15H9Cl2NS and a molecular weight of 306.22 g/mol. Its IUPAC name is 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine.

Molecular Properties

Compound Name3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine
PubChem CID4848834
Molecular FormulaC15H9Cl2NS
Molecular Weight306.22 g/mol
Exact Mass304.98
IUPAC Name3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine
SMILESClc1cnc(Sc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C15H9Cl2NS/c16-12-8-14(17)15(18-9-12)19-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H
InChIKeyQBBYXFVSGJFCCF-UHFFFAOYSA-N
XLogP5.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.22
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 616883
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CID 3738180
1-(4-Methylphenyl)sulfanylisoquinoline
CID 152188768
1-(4-Chlorophenyl)sulfanylisoquinoline
CID 154697600
2-Naphthalen-1-ylsulfanylpyridine
CID 19887252
2-Naphthalen-1-ylsulfanyl-5-(trifluoromethyl)pyridine
CID 172434443
3-Chloro-2-(naphthalen-1-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine
CID 2502540
3-Chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine
CID 12056908
3-Chloro-2-fluoro-5-(3-methylphenyl)sulfanylpyridine
CID 18541280
2-(Benzylthio)-5-chloro-3-fluoropyridine
CID 79733830
6-(Benzylthio)-1-chloro-4-fluoroisoquinoline
CID 86687424

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine?
The IUPAC name of 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine (CID 4848834) is 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine.
What is the SMILES notation for 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine?
The canonical SMILES for 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine is Clc1cnc(Sc2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine?
The InChIKey is QBBYXFVSGJFCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NS/c16-12-8-14(17)15(18-9-12)19-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H.
What are the key properties of 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine?
3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine has a molecular weight of 306.22 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine is sourced from PubChem (CID 4848834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).