6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid

C14H8F4N2O3 — CID 18917523

IUPAC6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)nc1
InChIInChI=1S/C14H8F4N2O3/c15-10-3-2-8(14(16,17)18)5-9(10)12(21)20-11-4-1-7(6-19-11)13(22)23/h1-6H,(H,22,23)(H,19,20,21)
InChIKeyDBZKGRMFQZVQRO-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.19
Rot. Bonds3

About 6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid

6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 18917523) has the molecular formula C14H8F4N2O3 and a molecular weight of 328.22 g/mol. Its IUPAC name is 6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID18917523
Molecular FormulaC14H8F4N2O3
Molecular Weight328.22 g/mol
Exact Mass328.05
IUPAC Name6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)nc1
InChIInChI=1S/C14H8F4N2O3/c15-10-3-2-8(14(16,17)18)5-9(10)12(21)20-11-4-1-7(6-19-11)13(22)23/h1-6H,(H,22,23)(H,19,20,21)
InChIKeyDBZKGRMFQZVQRO-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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Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid (CID 18917523) is 6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)nc1.
What is the InChIKey of 6-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is DBZKGRMFQZVQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O3/c15-10-3-2-8(14(16,17)18)5-9(10)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-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
6-[[2-fluoro-5-(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-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 18917523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).