2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide

C13H9BrClN3O3 — CID 81495765

IUPAC2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClN3O3/c14-7-3-1-5-9(18(19)20)12(7)21-10-6-2-4-8(15)11(10)13(16)17/h1-6H,(H3,16,17)
InChIKeyCKMKHCCVTUCRIC-UHFFFAOYSA-N
MW370.59 g/mol
LogP4.09
Rot. Bonds4

About 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide

2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide (PubChem CID 81495765) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
PubChem CID81495765
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClN3O3/c14-7-3-1-5-9(18(19)20)12(7)21-10-6-2-4-8(15)11(10)13(16)17/h1-6H,(H3,16,17)
InChIKeyCKMKHCCVTUCRIC-UHFFFAOYSA-N
XLogP4.09
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.09
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'}

Analyze 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 81495763
2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide
CID 63992956
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
CID 107716974
2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551192
2-bromo-6-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114884047
2-(2-chloro-6-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 107717026
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107717023

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide?
The IUPAC name of 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide (CID 81495765) is 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide?
The canonical SMILES for 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Oc1c(Br)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide?
The InChIKey is CKMKHCCVTUCRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c14-7-3-1-5-9(18(19)20)12(7)21-10-6-2-4-8(15)11(10)13(16)17/h1-6H,(H3,16,17).
What are the key properties of 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide?
2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide has a molecular weight of 370.59 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide is sourced from PubChem (CID 81495765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).