3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide

C9H9Cl2N3O4 — CID 76935361

IUPAC3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
SMILESNC(CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)=NO
InChIInChI=1S/C9H9Cl2N3O4/c10-6-3-5(14(16)17)4-7(11)9(6)18-2-1-8(12)13-15/h3-4,15H,1-2H2,(H2,12,13)
InChIKeyVZGZRGKHUBOFRW-UHFFFAOYSA-N
MW294.09 g/mol
LogP2.42
Rot. Bonds5

About 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide

3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide (PubChem CID 76935361) has the molecular formula C9H9Cl2N3O4 and a molecular weight of 294.09 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
PubChem CID76935361
Molecular FormulaC9H9Cl2N3O4
Molecular Weight294.09 g/mol
Exact Mass293.00
IUPAC Name3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
SMILESNC(CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)=NO
InChIInChI=1S/C9H9Cl2N3O4/c10-6-3-5(14(16)17)4-7(11)9(6)18-2-1-8(12)13-15/h3-4,15H,1-2H2,(H2,12,13)
InChIKeyVZGZRGKHUBOFRW-UHFFFAOYSA-N
XLogP2.42
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 52.42
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': 'nitro_group', '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

5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide
CID 62097780
3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 55035416
4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide
CID 63569444
methyl 4-(2,6-dichloro-4-nitrophenoxy)-2-(methylamino)butanoate
CID 63035666
1,3-dichloro-2-(3,3-diethoxypropoxy)-5-nitrobenzene
CID 63629148
1,3-dichloro-5-nitro-2-(2-phenylsulfanylethoxy)benzene
CID 79406085
2-amino-4-(2,6-dichloro-4-nitrophenoxy)-2-methylbutanenitrile
CID 62098810
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
3-chloro-2-[3-(dimethylamino)propoxy]-5-nitrobenzoic acid
CID 107186828
3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77002379
(2,6-dichloro-4-nitrophenyl) dihydrogen phosphate
CID 3082633
4-(2,4-dimethyl-6-nitrophenoxy)-N'-hydroxybutanimidamide
CID 55037393

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide (CID 76935361) is 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide is NC(CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)=NO.
What is the InChIKey of 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
The InChIKey is VZGZRGKHUBOFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O4/c10-6-3-5(14(16)17)4-7(11)9(6)18-2-1-8(12)13-15/h3-4,15H,1-2H2,(H2,12,13).
What are the key properties of 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide has a molecular weight of 294.09 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76935361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).