[2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate

C15H10F4N2O3 — CID 87489334

IUPAC[2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate
SMILESO=C(CNc1ccc(-c2ccccc2F)nc1)OC(=O)C(F)(F)F
InChIInChI=1S/C15H10F4N2O3/c16-11-4-2-1-3-10(11)12-6-5-9(7-21-12)20-8-13(22)24-14(23)15(17,18)19/h1-7,20H,8H2
InChIKeyZGXLOSZVPDEVGV-UHFFFAOYSA-N
MW342.25 g/mol
LogP2.93
Rot. Bonds4

About [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate

[2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate (PubChem CID 87489334) has the molecular formula C15H10F4N2O3 and a molecular weight of 342.25 g/mol. Its IUPAC name is [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate
PubChem CID87489334
Molecular FormulaC15H10F4N2O3
Molecular Weight342.25 g/mol
Exact Mass342.06
IUPAC Name[2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate
SMILESO=C(CNc1ccc(-c2ccccc2F)nc1)OC(=O)C(F)(F)F
InChIInChI=1S/C15H10F4N2O3/c16-11-4-2-1-3-10(11)12-6-5-9(7-21-12)20-8-13(22)24-14(23)15(17,18)19/h1-7,20H,8H2
InChIKeyZGXLOSZVPDEVGV-UHFFFAOYSA-N
XLogP2.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate (CID 87489334) is [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate is O=C(CNc1ccc(-c2ccccc2F)nc1)OC(=O)C(F)(F)F.
What is the InChIKey of [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate?
The InChIKey is ZGXLOSZVPDEVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O3/c16-11-4-2-1-3-10(11)12-6-5-9(7-21-12)20-8-13(22)24-14(23)15(17,18)19/h1-7,20H,8H2.
What are the key properties of [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate?
[2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate has a molecular weight of 342.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 87489334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).