2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid

C7H4F3NO3S — CID 51921978

IUPAC2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1[S@](=O)C(F)(F)F
InChIInChI=1S/C7H4F3NO3S/c8-7(9,10)15(14)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13)/t15-/m0/s1
InChIKeyUVOSJCQGLKQQNH-HNNXBMFYSA-N
MW239.17 g/mol
LogP1.41
Rot. Bonds2

About 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid

2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid (PubChem CID 51921978) has the molecular formula C7H4F3NO3S and a molecular weight of 239.17 g/mol. Its IUPAC name is 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid
PubChem CID51921978
Molecular FormulaC7H4F3NO3S
Molecular Weight239.17 g/mol
Exact Mass238.99
IUPAC Name2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1[S@](=O)C(F)(F)F
InChIInChI=1S/C7H4F3NO3S/c8-7(9,10)15(14)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13)/t15-/m0/s1
InChIKeyUVOSJCQGLKQQNH-HNNXBMFYSA-N
XLogP1.41
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid
CID 129319079
pyridine-2,3-dicarboxylic acid
CID 1066
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
CID 119078369
CID 119078369
(3-carboxy-2-pyridinyl)astatine
CID 174507208
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
2-tert-butylpyridine-3-carboxylic acid
CID 20815660
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid (CID 51921978) is 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1[S@](=O)C(F)(F)F.
What is the InChIKey of 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid?
The InChIKey is UVOSJCQGLKQQNH-HNNXBMFYSA-N. The full InChI is InChI=1S/C7H4F3NO3S/c8-7(9,10)15(14)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13)/t15-/m0/s1.
What are the key properties of 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid?
2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid has a molecular weight of 239.17 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 51921978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).