5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid

C10H10ClF3N2O5S — CID 170338068

IUPAC5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid
SMILESCC(COc1cc(C(=O)O)c(Cl)cn1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O5S/c1-5(16-22(19,20)10(12,13)14)4-21-8-2-6(9(17)18)7(11)3-15-8/h2-3,5,16H,4H2,1H3,(H,17,18)
InChIKeyNMRXMKBJCLBSFG-UHFFFAOYSA-N
MW362.71 g/mol
LogP1.64
Rot. Bonds6

About 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid

5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid (PubChem CID 170338068) has the molecular formula C10H10ClF3N2O5S and a molecular weight of 362.71 g/mol. Its IUPAC name is 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid
PubChem CID170338068
Molecular FormulaC10H10ClF3N2O5S
Molecular Weight362.71 g/mol
Exact Mass362.00
IUPAC Name5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid
SMILESCC(COc1cc(C(=O)O)c(Cl)cn1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O5S/c1-5(16-22(19,20)10(12,13)14)4-21-8-2-6(9(17)18)7(11)3-15-8/h2-3,5,16H,4H2,1H3,(H,17,18)
InChIKeyNMRXMKBJCLBSFG-UHFFFAOYSA-N
XLogP1.64
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.71
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid (CID 170338068) is 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid is CC(COc1cc(C(=O)O)c(Cl)cn1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid?
The InChIKey is NMRXMKBJCLBSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O5S/c1-5(16-22(19,20)10(12,13)14)4-21-8-2-6(9(17)18)7(11)3-15-8/h2-3,5,16H,4H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid?
5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid has a molecular weight of 362.71 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 170338068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).