2-[2-(trifluoromethyl)phenyl]sulfinylpyridine

C12H8F3NOS — CID 135073784

IUPAC2-[2-(trifluoromethyl)phenyl]sulfinylpyridine
SMILESO=S(c1ccccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)9-5-1-2-6-10(9)18(17)11-7-3-4-8-16-11/h1-8H
InChIKeySXYMBVWFIBAMGW-UHFFFAOYSA-N
MW271.26 g/mol
LogP3.27
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine

2-[2-(trifluoromethyl)phenyl]sulfinylpyridine (PubChem CID 135073784) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]sulfinylpyridine
PubChem CID135073784
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name2-[2-(trifluoromethyl)phenyl]sulfinylpyridine
SMILESO=S(c1ccccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)9-5-1-2-6-10(9)18(17)11-7-3-4-8-16-11/h1-8H
InChIKeySXYMBVWFIBAMGW-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine (CID 135073784) is 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine is O=S(c1ccccn1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine?
The InChIKey is SXYMBVWFIBAMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c13-12(14,15)9-5-1-2-6-10(9)18(17)11-7-3-4-8-16-11/h1-8H.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine?
2-[2-(trifluoromethyl)phenyl]sulfinylpyridine has a molecular weight of 271.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]sulfinylpyridine is sourced from PubChem (CID 135073784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).