N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide

C12H8Cl3N3O2 — CID 43108551

IUPACN'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N3O2/c13-7-4-9(15)10(5-8(7)14)20-12-6(11(16)18-19)2-1-3-17-12/h1-5,19H,(H2,16,18)
InChIKeyXNSSBXXGWDHPAY-UHFFFAOYSA-N
MW332.57 g/mol
LogP3.93
Rot. Bonds3

About N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide

N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide (PubChem CID 43108551) has the molecular formula C12H8Cl3N3O2 and a molecular weight of 332.57 g/mol. Its IUPAC name is N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
PubChem CID43108551
Molecular FormulaC12H8Cl3N3O2
Molecular Weight332.57 g/mol
Exact Mass330.97
IUPAC NameN'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N3O2/c13-7-4-9(15)10(5-8(7)14)20-12-6(11(16)18-19)2-1-3-17-12/h1-5,19H,(H2,16,18)
InChIKeyXNSSBXXGWDHPAY-UHFFFAOYSA-N
XLogP3.93
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-(2,4,5-trichlorophenoxy)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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide (CID 43108551) is N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide is N/C(=N\O)c1cccnc1Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide?
The InChIKey is XNSSBXXGWDHPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O2/c13-7-4-9(15)10(5-8(7)14)20-12-6(11(16)18-19)2-1-3-17-12/h1-5,19H,(H2,16,18).
What are the key properties of N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide?
N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide has a molecular weight of 332.57 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 43108551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).