2-(2-chloro-6-nitrophenoxy)ethanimidamide

C8H8ClN3O3 — CID 107717032

IUPAC2-(2-chloro-6-nitrophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H8ClN3O3/c9-5-2-1-3-6(12(13)14)8(5)15-4-7(10)11/h1-3H,4H2,(H3,10,11)
InChIKeyDWEASKOSGWILMH-UHFFFAOYSA-N
MW229.62 g/mol
LogP1.56
Rot. Bonds4

About 2-(2-chloro-6-nitrophenoxy)ethanimidamide

2-(2-chloro-6-nitrophenoxy)ethanimidamide (PubChem CID 107717032) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is 2-(2-chloro-6-nitrophenoxy)ethanimidamide.

Molecular Properties

Compound Name2-(2-chloro-6-nitrophenoxy)ethanimidamide
PubChem CID107717032
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC Name2-(2-chloro-6-nitrophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H8ClN3O3/c9-5-2-1-3-6(12(13)14)8(5)15-4-7(10)11/h1-3H,4H2,(H3,10,11)
InChIKeyDWEASKOSGWILMH-UHFFFAOYSA-N
XLogP1.56
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
CID 107716974
2-(2-chloro-6-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 107717026
1-(2-chloro-6-nitrophenoxy)-3-methylpentan-2-one
CID 103864101
2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone
CID 103764433
4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide
CID 107718607
2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107717023
2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
CID 81495765
2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 103764386
4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide
CID 107718608
2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate
CID 7789050

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-nitrophenoxy)ethanimidamide?
The IUPAC name of 2-(2-chloro-6-nitrophenoxy)ethanimidamide (CID 107717032) is 2-(2-chloro-6-nitrophenoxy)ethanimidamide.
What is the SMILES notation for 2-(2-chloro-6-nitrophenoxy)ethanimidamide?
The canonical SMILES for 2-(2-chloro-6-nitrophenoxy)ethanimidamide is [H]/N=C(\N)COc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-chloro-6-nitrophenoxy)ethanimidamide?
The InChIKey is DWEASKOSGWILMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c9-5-2-1-3-6(12(13)14)8(5)15-4-7(10)11/h1-3H,4H2,(H3,10,11).
What are the key properties of 2-(2-chloro-6-nitrophenoxy)ethanimidamide?
2-(2-chloro-6-nitrophenoxy)ethanimidamide has a molecular weight of 229.62 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-nitrophenoxy)ethanimidamide is sourced from PubChem (CID 107717032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).