2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine

C13H8Cl2F3NOS — CID 11890191

IUPAC2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine
SMILESO=[S@@](Cc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H8Cl2F3NOS/c14-10-2-1-3-11(15)9(10)7-21(20)12-5-4-8(6-19-12)13(16,17)18/h1-6H,7H2/t21-/m0/s1
InChIKeyQMYAKZBRSDGOOB-NRFANRHFSA-N
MW354.18 g/mol
LogP4.72
Rot. Bonds3

About 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine

2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine (PubChem CID 11890191) has the molecular formula C13H8Cl2F3NOS and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine
PubChem CID11890191
Molecular FormulaC13H8Cl2F3NOS
Molecular Weight354.18 g/mol
Exact Mass352.97
IUPAC Name2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine
SMILESO=[S@@](Cc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H8Cl2F3NOS/c14-10-2-1-3-11(15)9(10)7-21(20)12-5-4-8(6-19-12)13(16,17)18/h1-6H,7H2/t21-/m0/s1
InChIKeyQMYAKZBRSDGOOB-NRFANRHFSA-N
XLogP4.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1479266
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CID 609897
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CID 5703066
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CID 3849865
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CID 44439379
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CID 155545372
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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine (CID 11890191) is 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine is O=[S@@](Cc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine?
The InChIKey is QMYAKZBRSDGOOB-NRFANRHFSA-N. The full InChI is InChI=1S/C13H8Cl2F3NOS/c14-10-2-1-3-11(15)9(10)7-21(20)12-5-4-8(6-19-12)13(16,17)18/h1-6H,7H2/t21-/m0/s1.
What are the key properties of 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine?
2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine has a molecular weight of 354.18 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 11890191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).