2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid

C14H9F3N2O3S — CID 162651284

IUPAC2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H9F3N2O3S/c15-14(16,17)23-9-5-3-8(4-6-9)12(20)19-11-10(13(21)22)2-1-7-18-11/h1-7H,(H,21,22)(H,18,19,20)
InChIKeyMXERNDCZINGZDE-UHFFFAOYSA-N
MW342.30 g/mol
LogP3.64
Rot. Bonds4

About 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid

2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 162651284) has the molecular formula C14H9F3N2O3S and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID162651284
Molecular FormulaC14H9F3N2O3S
Molecular Weight342.30 g/mol
Exact Mass342.03
IUPAC Name2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H9F3N2O3S/c15-14(16,17)23-9-5-3-8(4-6-9)12(20)19-11-10(13(21)22)2-1-7-18-11/h1-7H,(H,21,22)(H,18,19,20)
InChIKeyMXERNDCZINGZDE-UHFFFAOYSA-N
XLogP3.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid (CID 162651284) is 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid is O=C(Nc1ncccc1C(=O)O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is MXERNDCZINGZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3S/c15-14(16,17)23-9-5-3-8(4-6-9)12(20)19-11-10(13(21)22)2-1-7-18-11/h1-7H,(H,21,22)(H,18,19,20).
What are the key properties of 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid?
2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 342.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 162651284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).