N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide

C8H7F3N4O4 — CID 103470634

IUPACN'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
SMILESNC(=NO)c1cnc(OCC(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7F3N4O4/c9-8(10,11)3-19-7-5(15(17)18)1-4(2-13-7)6(12)14-16/h1-2,16H,3H2,(H2,12,14)
InChIKeyWFTOKEIKUGGKBZ-UHFFFAOYSA-N
MW280.16 g/mol
LogP1.03
Rot. Bonds4

About N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide

N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide (PubChem CID 103470634) has the molecular formula C8H7F3N4O4 and a molecular weight of 280.16 g/mol. Its IUPAC name is N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
PubChem CID103470634
Molecular FormulaC8H7F3N4O4
Molecular Weight280.16 g/mol
Exact Mass280.04
IUPAC NameN'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
SMILESNC(=NO)c1cnc(OCC(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7F3N4O4/c9-8(10,11)3-19-7-5(15(17)18)1-4(2-13-7)6(12)14-16/h1-2,16H,3H2,(H2,12,14)
InChIKeyWFTOKEIKUGGKBZ-UHFFFAOYSA-N
XLogP1.03
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103488543
6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470626
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470406
3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 161358659
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281
6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471009
5-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine
CID 12868380
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 107480069
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2,2-difluoropropan-1-ol
CID 146211557
5-nitro-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxylic acid
CID 114089663
6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid
CID 81437686

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide (CID 103470634) is N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide is NC(=NO)c1cnc(OCC(F)(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
The InChIKey is WFTOKEIKUGGKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O4/c9-8(10,11)3-19-7-5(15(17)18)1-4(2-13-7)6(12)14-16/h1-2,16H,3H2,(H2,12,14).
What are the key properties of N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide has a molecular weight of 280.16 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 103470634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).