5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine

C6H5F3N2OS — CID 124744563

IUPAC5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine
SMILESNc1ccc([S@](=O)C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)13(12)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)/t13-/m0/s1
InChIKeyABFDGENISMKPFQ-ZDUSSCGKSA-N
MW210.18 g/mol
LogP1.29
Rot. Bonds1

About 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine

5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine (PubChem CID 124744563) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine
PubChem CID124744563
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC Name5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine
SMILESNc1ccc([S@](=O)C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)13(12)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)/t13-/m0/s1
InChIKeyABFDGENISMKPFQ-ZDUSSCGKSA-N
XLogP1.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine?
The IUPAC name of 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine (CID 124744563) is 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine.
What is the SMILES notation for 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine?
The canonical SMILES for 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine is Nc1ccc([S@](=O)C(F)(F)F)cn1.
What is the InChIKey of 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine?
The InChIKey is ABFDGENISMKPFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c7-6(8,9)13(12)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)/t13-/m0/s1.
What are the key properties of 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine?
5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine has a molecular weight of 210.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine is sourced from PubChem (CID 124744563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).