2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol

C10H12F3N3O4 — CID 141419227

IUPAC2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol
SMILESCN(CCO)c1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O4/c1-15(4-5-17)8-3-2-7(16(18)19)9(14-8)20-6-10(11,12)13/h2-3,17H,4-6H2,1H3
InChIKeyUGMDESXYRYGPED-UHFFFAOYSA-N
MW295.22 g/mol
LogP1.36
Rot. Bonds6

About 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol

2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol (PubChem CID 141419227) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol
PubChem CID141419227
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol
SMILESCN(CCO)c1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O4/c1-15(4-5-17)8-3-2-7(16(18)19)9(14-8)20-6-10(11,12)13/h2-3,17H,4-6H2,1H3
InChIKeyUGMDESXYRYGPED-UHFFFAOYSA-N
XLogP1.36
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81137666
2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine
CID 155234464
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 141373250
tert-butyl N-acetyl-N-[6-[2-(dimethylamino)ethyl-methylamino]-5-nitro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 168741108
2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]ethanol;dihydrochloride
CID 159916025
1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79815724
2-[N-(2-hydroxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethanol
CID 61233656
N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine
CID 84588425
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitropyridine-2-carboxylic acid
CID 102739947

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol (CID 141419227) is 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol is CN(CCO)c1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1.
What is the InChIKey of 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol?
The InChIKey is UGMDESXYRYGPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4/c1-15(4-5-17)8-3-2-7(16(18)19)9(14-8)20-6-10(11,12)13/h2-3,17H,4-6H2,1H3.
What are the key properties of 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol?
2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol has a molecular weight of 295.22 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 141419227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).