6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide

C12H8Cl2FN3O — CID 166636563

IUPAC6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide
SMILESON/C(=N\c1ccc(F)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H8Cl2FN3O/c13-9-5-8(2-3-10(9)15)17-12(18-19)7-1-4-11(14)16-6-7/h1-6,19H,(H,17,18)
InChIKeyBBYPSSINFQPBIJ-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.58
Rot. Bonds2

About 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide

6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide (PubChem CID 166636563) has the molecular formula C12H8Cl2FN3O and a molecular weight of 300.12 g/mol. Its IUPAC name is 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide
PubChem CID166636563
Molecular FormulaC12H8Cl2FN3O
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide
SMILESON/C(=N\c1ccc(F)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H8Cl2FN3O/c13-9-5-8(2-3-10(9)15)17-12(18-19)7-1-4-11(14)16-6-7/h1-6,19H,(H,17,18)
InChIKeyBBYPSSINFQPBIJ-UHFFFAOYSA-N
XLogP3.58
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-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 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide (CID 166636563) is 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide is ON/C(=N\c1ccc(F)c(Cl)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide?
The InChIKey is BBYPSSINFQPBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O/c13-9-5-8(2-3-10(9)15)17-12(18-19)7-1-4-11(14)16-6-7/h1-6,19H,(H,17,18).
What are the key properties of 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide?
6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide has a molecular weight of 300.12 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 166636563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).