6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

C13H11F3N2OS — CID 102720288

IUPAC6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccccc1Sc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H11F3N2OS/c1-19-9-4-2-3-5-10(9)20-12-7-8(13(14,15)16)6-11(17)18-12/h2-7H,1H3,(H2,17,18)
InChIKeyZVUCTGYAJQJDMK-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.84
Rot. Bonds3

About 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720288) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720288
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccccc1Sc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H11F3N2OS/c1-19-9-4-2-3-5-10(9)20-12-7-8(13(14,15)16)6-11(17)18-12/h2-7H,1H3,(H2,17,18)
InChIKeyZVUCTGYAJQJDMK-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720288) is 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is COc1ccccc1Sc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZVUCTGYAJQJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-19-9-4-2-3-5-10(9)20-12-7-8(13(14,15)16)6-11(17)18-12/h2-7H,1H3,(H2,17,18).
What are the key properties of 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).