5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride

C6H5ClF3NO3S — CID 174615079

IUPAC5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C6H4F3NO3S.ClH/c7-6(8,9)4-1-2-5(10-3-4)14(11,12)13;/h1-3H,(H,11,12,13);1H
InChIKeyFQFTVWQQQLSCEZ-UHFFFAOYSA-N
MW263.62 g/mol
LogP1.77
Rot. Bonds1

About 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride

5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride (PubChem CID 174615079) has the molecular formula C6H5ClF3NO3S and a molecular weight of 263.62 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
PubChem CID174615079
Molecular FormulaC6H5ClF3NO3S
Molecular Weight263.62 g/mol
Exact Mass262.96
IUPAC Name5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C6H4F3NO3S.ClH/c7-6(8,9)4-1-2-5(10-3-4)14(11,12)13;/h1-3H,(H,11,12,13);1H
InChIKeyFQFTVWQQQLSCEZ-UHFFFAOYSA-N
XLogP1.77
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.62
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid
CID 5101803
pyrazine-2,5-disulfonic acid
CID 88797746
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetonitrile
CID 2820801
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 2744963
7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
CID 166283904
[5-(trifluoromethyl)-2-pyridinyl]methanol sulfate
CID 18983902
N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide
CID 19932209
N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 2746581
4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol
CID 166282118
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl 2,3,3-trichloroprop-2-enoate
CID 2779715
2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 167877569

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride (CID 174615079) is 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride?
The InChIKey is FQFTVWQQQLSCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3S.ClH/c7-6(8,9)4-1-2-5(10-3-4)14(11,12)13;/h1-3H,(H,11,12,13);1H.
What are the key properties of 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride?
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride has a molecular weight of 263.62 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride is sourced from PubChem (CID 174615079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).