3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine

C6H5F3N2OS — CID 124747746

IUPAC3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine
SMILESNc1ccncc1[S@@](=O)C(F)(F)F
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)13(12)5-3-11-2-1-4(5)10/h1-3H,(H2,10,11)/t13-/m1/s1
InChIKeyUMUJSWVVRLFVFZ-CYBMUJFWSA-N
MW210.18 g/mol
LogP1.29
Rot. Bonds1

About 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine

3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine (PubChem CID 124747746) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine
PubChem CID124747746
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC Name3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine
SMILESNc1ccncc1[S@@](=O)C(F)(F)F
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)13(12)5-3-11-2-1-4(5)10/h1-3H,(H2,10,11)/t13-/m1/s1
InChIKeyUMUJSWVVRLFVFZ-CYBMUJFWSA-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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Related Compounds

4-(trifluoromethylsulfinyl)pyridine
CID 151307405
S-[4-amino-3-(trifluoromethylsulfinyl)phenyl]thiohydroxylamine
CID 170584529
4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine
CID 116790308
5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine
CID 124744563
3-(3,3,3-trifluoro-1-hydrazinylpropyl)pyridin-4-amine
CID 105205967
2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592894
4-aminopyridine-3-thiol
CID 14062661
3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine
CID 171572565
2-[(3-chloro-4-pyridinyl)methylsulfinyl]-5-(trifluoromethyl)aniline
CID 81174820
4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 114131524
ethane;molecular hydrogen;pyridine-3,4-diamine
CID 143900144
4-aminopyridin-3-ol;dihydrochloride
CID 127255436

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine?
The IUPAC name of 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine (CID 124747746) is 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine.
What is the SMILES notation for 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine?
The canonical SMILES for 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine is Nc1ccncc1[S@@](=O)C(F)(F)F.
What is the InChIKey of 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine?
The InChIKey is UMUJSWVVRLFVFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c7-6(8,9)13(12)5-3-11-2-1-4(5)10/h1-3H,(H2,10,11)/t13-/m1/s1.
What are the key properties of 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine?
3-[(R)-trifluoromethylsulfinyl]pyridin-4-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 3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine is sourced from PubChem (CID 124747746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).