2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide

C11H8Cl2N4O2 — CID 136907185

IUPAC2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl2N4O2/c12-6-2-1-3-8(9(6)13)19-11-15-5-4-7(16-11)10(14)17-18/h1-5,18H,(H2,14,17)
InChIKeyZETAKWXDWJAWCX-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.67
Rot. Bonds3

About 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide

2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136907185) has the molecular formula C11H8Cl2N4O2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136907185
Molecular FormulaC11H8Cl2N4O2
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl2N4O2/c12-6-2-1-3-8(9(6)13)19-11-15-5-4-7(16-11)10(14)17-18/h1-5,18H,(H2,14,17)
InChIKeyZETAKWXDWJAWCX-UHFFFAOYSA-N
XLogP2.67
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907160
N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
CID 136907091
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907157
N'-hydroxy-2-(3-propan-2-ylphenoxy)pyrimidine-4-carboximidamide
CID 136907170
2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907441
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
CID 136907355
2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136907287
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806
2-(2,4,5-trichlorophenoxy)pyrimidine-4-carbothioamide
CID 107548379
4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136952615
5-(2,3-dichlorophenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951926
2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597229

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide (CID 136907185) is 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide is N/C(=N/O)c1ccnc(Oc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is ZETAKWXDWJAWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2/c12-6-2-1-3-8(9(6)13)19-11-15-5-4-7(16-11)10(14)17-18/h1-5,18H,(H2,14,17).
What are the key properties of 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 299.12 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136907185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).