[[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium

C13H7F5N3OU- — CID 163646363

IUPAC[[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium
SMILESO=[C-]Nc1ccc(-c2cncc(C(F)F)c2)nc1C(F)(F)F.[U]
InChIInChI=1S/C13H7F5N3O.U/c14-12(15)8-3-7(4-19-5-8)9-1-2-10(20-6-22)11(21-9)13(16,17)18;/h1-5,12H,(H,20,22);/q-1;
InChIKeyTZKKGYBOYGXZJW-UHFFFAOYSA-N
MW554.24 g/mol
LogP3.58
Rot. Bonds4

About [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium

[[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium (PubChem CID 163646363) has the molecular formula C13H7F5N3OU- and a molecular weight of 554.24 g/mol. Its IUPAC name is [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium.

Molecular Properties

Compound Name[[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium
PubChem CID163646363
Molecular FormulaC13H7F5N3OU-
Molecular Weight554.24 g/mol
Exact Mass554.10
IUPAC Name[[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium
SMILESO=[C-]Nc1ccc(-c2cncc(C(F)F)c2)nc1C(F)(F)F.[U]
InChIInChI=1S/C13H7F5N3O.U/c14-12(15)8-3-7(4-19-5-8)9-1-2-10(20-6-22)11(21-9)13(16,17)18;/h1-5,12H,(H,20,22);/q-1;
InChIKeyTZKKGYBOYGXZJW-UHFFFAOYSA-N
XLogP3.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium?
The IUPAC name of [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium (CID 163646363) is [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium.
What is the SMILES notation for [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium?
The canonical SMILES for [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium is O=[C-]Nc1ccc(-c2cncc(C(F)F)c2)nc1C(F)(F)F.[U].
What is the InChIKey of [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium?
The InChIKey is TZKKGYBOYGXZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N3O.U/c14-12(15)8-3-7(4-19-5-8)9-1-2-10(20-6-22)11(21-9)13(16,17)18;/h1-5,12H,(H,20,22);/q-1;.
What are the key properties of [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium?
[[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium has a molecular weight of 554.24 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-[5-(difluoromethyl)-3-pyridinyl]-2-(trifluoromethyl)-3-pyridinyl]amino]methanone;uranium is sourced from PubChem (CID 163646363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).