6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine

C13H9F5N2S — CID 102716571

IUPAC6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2ccc(SC(F)F)cc2)n1
InChIInChI=1S/C13H9F5N2S/c14-12(15)21-9-3-1-7(2-4-9)10-5-8(13(16,17)18)6-11(19)20-10/h1-6,12H,(H2,19,20)
InChIKeyUCHLEJIKLLZFNI-UHFFFAOYSA-N
MW320.29 g/mol
LogP4.66
Rot. Bonds3

About 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine

6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716571) has the molecular formula C13H9F5N2S and a molecular weight of 320.29 g/mol. Its IUPAC name is 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716571
Molecular FormulaC13H9F5N2S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2ccc(SC(F)F)cc2)n1
InChIInChI=1S/C13H9F5N2S/c14-12(15)21-9-3-1-7(2-4-9)10-5-8(13(16,17)18)6-11(19)20-10/h1-6,12H,(H2,19,20)
InChIKeyUCHLEJIKLLZFNI-UHFFFAOYSA-N
XLogP4.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716554
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716909
6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716854
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037
5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
CID 117357259
4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 136862136
4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102716845
6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716550
6-[4-(difluoromethylsulfanyl)phenyl]-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776709
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
6-(2,6-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716908

Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102716571) is 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(-c2ccc(SC(F)F)cc2)n1.
What is the InChIKey of 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UCHLEJIKLLZFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2S/c14-12(15)21-9-3-1-7(2-4-9)10-5-8(13(16,17)18)6-11(19)20-10/h1-6,12H,(H2,19,20).
What are the key properties of 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine?
6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 320.29 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).