6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid

C14H9F3N2O3 — CID 22099557

IUPAC6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-2-1-3-9(10)12(20)19-11-6-5-8(7-18-11)13(21)22/h1-7H,(H,21,22)(H,18,19,20)
InChIKeyIHGUTZVANKMYJB-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.05
Rot. Bonds3

About 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid

6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 22099557) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID22099557
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-2-1-3-9(10)12(20)19-11-6-5-8(7-18-11)13(21)22/h1-7H,(H,21,22)(H,18,19,20)
InChIKeyIHGUTZVANKMYJB-UHFFFAOYSA-N
XLogP3.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid (CID 22099557) is 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1.
What is the InChIKey of 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is IHGUTZVANKMYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-2-1-3-9(10)12(20)19-11-6-5-8(7-18-11)13(21)22/h1-7H,(H,21,22)(H,18,19,20).
What are the key properties of 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 310.23 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 22099557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).