5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid

C10H10F3N3O5 — CID 114404148

IUPAC5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O5/c11-10(12,13)5-21-4-3-14-8-7(16(19)20)2-1-6(15-8)9(17)18/h1-2H,3-5H2,(H,14,15)(H,17,18)
InChIKeyRNYUICZIJJMFPN-UHFFFAOYSA-N
MW309.20 g/mol
LogP1.68
Rot. Bonds7

About 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid

5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid (PubChem CID 114404148) has the molecular formula C10H10F3N3O5 and a molecular weight of 309.20 g/mol. Its IUPAC name is 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
PubChem CID114404148
Molecular FormulaC10H10F3N3O5
Molecular Weight309.20 g/mol
Exact Mass309.06
IUPAC Name5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O5/c11-10(12,13)5-21-4-3-14-8-7(16(19)20)2-1-6(15-8)9(17)18/h1-2H,3-5H2,(H,14,15)(H,17,18)
InChIKeyRNYUICZIJJMFPN-UHFFFAOYSA-N
XLogP1.68
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

6-(ethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403392
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
5-nitro-6-(octylamino)pyridine-2-carboxylic acid
CID 114404374
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
2-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-4-carboxylic acid
CID 107553989
6-[(4-fluorophenyl)methylamino]-5-nitropyridine-2-carboxylic acid
CID 114403481
6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403496
4-nitro-3-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
CID 82991923
6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403816
5-nitro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoic acid
CID 60731028
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
5-nitro-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80846201

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid (CID 114404148) is 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(NCCOCC(F)(F)F)n1.
What is the InChIKey of 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is RNYUICZIJJMFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O5/c11-10(12,13)5-21-4-3-14-8-7(16(19)20)2-1-6(15-8)9(17)18/h1-2H,3-5H2,(H,14,15)(H,17,18).
What are the key properties of 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid?
5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 309.20 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114404148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).