6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid

C14H8F4N2O3 — CID 22099714

IUPAC6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)nc1
InChIInChI=1S/C14H8F4N2O3/c15-8-2-3-9(10(5-8)14(16,17)18)12(21)20-11-4-1-7(6-19-11)13(22)23/h1-6H,(H,22,23)(H,19,20,21)
InChIKeyHBBYLFZQPBBPFY-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.19
Rot. Bonds3

About 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid

6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 22099714) has the molecular formula C14H8F4N2O3 and a molecular weight of 328.22 g/mol. Its IUPAC name is 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID22099714
Molecular FormulaC14H8F4N2O3
Molecular Weight328.22 g/mol
Exact Mass328.05
IUPAC Name6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)nc1
InChIInChI=1S/C14H8F4N2O3/c15-8-2-3-9(10(5-8)14(16,17)18)12(21)20-11-4-1-7(6-19-11)13(22)23/h1-6H,(H,22,23)(H,19,20,21)
InChIKeyHBBYLFZQPBBPFY-UHFFFAOYSA-N
XLogP3.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride
CID 22099637
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
6-[(5-fluoro-2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 115298481
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 113452818
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 67041574
N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
6-[(2-fluoro-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 102881937
6-[(2-hydroxy-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 61317963
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349

Frequently Asked Questions

What is the IUPAC name of 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid (CID 22099714) is 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)nc1.
What is the InChIKey of 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is HBBYLFZQPBBPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O3/c15-8-2-3-9(10(5-8)14(16,17)18)12(21)20-11-4-1-7(6-19-11)13(22)23/h1-6H,(H,22,23)(H,19,20,21).
What are the key properties of 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 328.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 22099714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).