2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium

C14H10F8N4O4Pd — CID 161278647

IUPAC2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium
SMILESNc1cnc(F)cc1OCC(F)(F)F.O=[N+]([O-])c1cnc(F)cc1OCC(F)(F)F.[Pd]
InChIInChI=1S/C7H4F4N2O3.C7H6F4N2O.Pd/c8-6-1-5(16-3-7(9,10)11)4(2-12-6)13(14)15;8-6-1-5(4(12)2-13-6)14-3-7(9,10)11;/h1-2H,3H2;1-2H,3,12H2;
InChIKeyVETVWDXLXAUYNP-UHFFFAOYSA-N
MW556.66 g/mol
LogP3.81
Rot. Bonds5

About 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium

2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium (PubChem CID 161278647) has the molecular formula C14H10F8N4O4Pd and a molecular weight of 556.66 g/mol. Its IUPAC name is 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium.

Molecular Properties

Compound Name2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium
PubChem CID161278647
Molecular FormulaC14H10F8N4O4Pd
Molecular Weight556.66 g/mol
Exact Mass555.96
IUPAC Name2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium
SMILESNc1cnc(F)cc1OCC(F)(F)F.O=[N+]([O-])c1cnc(F)cc1OCC(F)(F)F.[Pd]
InChIInChI=1S/C7H4F4N2O3.C7H6F4N2O.Pd/c8-6-1-5(16-3-7(9,10)11)4(2-12-6)13(14)15;8-6-1-5(4(12)2-13-6)14-3-7(9,10)11;/h1-2H,3H2;1-2H,3,12H2;
InChIKeyVETVWDXLXAUYNP-UHFFFAOYSA-N
XLogP3.81
TPSA113.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.66
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine
CID 12868380
1-nitro-4-[4-nitro-3-(2,2,2-trifluoroethoxy)phenoxy]-2-(2,2,2-trifluoroethoxy)benzene
CID 88829100
methyl 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]acetate
CID 126645382
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-amine
CID 106750124
2-methyl-5-nitro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43342373
5-nitro-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxylic acid
CID 114089663
4-(difluoromethyl)-2-fluoro-5-nitropyridine
CID 130096275
5-methoxy-2-nitro-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 43311615
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine
CID 155234464
3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 161358659
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium?
The IUPAC name of 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium (CID 161278647) is 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium.
What is the SMILES notation for 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium?
The canonical SMILES for 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium is Nc1cnc(F)cc1OCC(F)(F)F.O=[N+]([O-])c1cnc(F)cc1OCC(F)(F)F.[Pd].
What is the InChIKey of 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium?
The InChIKey is VETVWDXLXAUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4N2O3.C7H6F4N2O.Pd/c8-6-1-5(16-3-7(9,10)11)4(2-12-6)13(14)15;8-6-1-5(4(12)2-13-6)14-3-7(9,10)11;/h1-2H,3H2;1-2H,3,12H2;.
What are the key properties of 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium?
2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium has a molecular weight of 556.66 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitro-4-(2,2,2-trifluoroethoxy)pyridine;6-fluoro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine;palladium is sourced from PubChem (CID 161278647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).