6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid

C10H9F3N2O4 — CID 103205991

IUPAC6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(COCC(F)(F)F)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-19-4-8(16)15-7-3-1-2-6(14-7)9(17)18/h1-3H,4-5H2,(H,17,18)(H,14,15,16)
InChIKeyBYVATORAZUXHNB-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.30
Rot. Bonds5

About 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid

6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 103205991) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID103205991
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(COCC(F)(F)F)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-19-4-8(16)15-7-3-1-2-6(14-7)9(17)18/h1-3H,4-5H2,(H,17,18)(H,14,15,16)
InChIKeyBYVATORAZUXHNB-UHFFFAOYSA-N
XLogP1.30
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid (CID 103205991) is 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid is O=C(COCC(F)(F)F)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is BYVATORAZUXHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)5-19-4-8(16)15-7-3-1-2-6(14-7)9(17)18/h1-3H,4-5H2,(H,17,18)(H,14,15,16).
What are the key properties of 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid?
6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 278.19 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 103205991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).