N'-bromo-3-nitrobenzenecarboximidamide

C7H6BrN3O2 — CID 134988255

IUPACN'-bromo-3-nitrobenzenecarboximidamide
SMILESN/C(=N\Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H6BrN3O2/c8-10-7(9)5-2-1-3-6(4-5)11(12)13/h1-4H,(H2,9,10)
InChIKeyCAZXIOVWFJDMST-UHFFFAOYSA-N
MW244.05 g/mol
LogP1.61
Rot. Bonds2

About N'-bromo-3-nitrobenzenecarboximidamide

N'-bromo-3-nitrobenzenecarboximidamide (PubChem CID 134988255) has the molecular formula C7H6BrN3O2 and a molecular weight of 244.05 g/mol. Its IUPAC name is N'-bromo-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN'-bromo-3-nitrobenzenecarboximidamide
PubChem CID134988255
Molecular FormulaC7H6BrN3O2
Molecular Weight244.05 g/mol
Exact Mass242.96
IUPAC NameN'-bromo-3-nitrobenzenecarboximidamide
SMILESN/C(=N\Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H6BrN3O2/c8-10-7(9)5-2-1-3-6(4-5)11(12)13/h1-4H,(H2,9,10)
InChIKeyCAZXIOVWFJDMST-UHFFFAOYSA-N
XLogP1.61
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-amino-3-nitrobenzenecarboximidamide;hydrochloride
CID 87664105
[[amino-(3-nitrophenyl)methylidene]amino] 2-bromobenzoate
CID 2841936
1-(3-nitrophenyl)ethenol
CID 12600881
[(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-chlorobenzoate
CID 5332695
N'-(4-methylsulfonylphenyl)-3-nitrobenzenecarboximidamide
CID 10829426
benzamide;3-nitrobenzoic acid
CID 139144379
[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5391961
1-(3-nitrophenyl)ethanone;(E)-1-(3-nitrophenyl)ethylidenehydrazine
CID 172958037
3-nitrobenzoyl iodide
CID 87511250
(Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine
CID 165401758
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597

Frequently Asked Questions

What is the IUPAC name of N'-bromo-3-nitrobenzenecarboximidamide?
The IUPAC name of N'-bromo-3-nitrobenzenecarboximidamide (CID 134988255) is N'-bromo-3-nitrobenzenecarboximidamide.
What is the SMILES notation for N'-bromo-3-nitrobenzenecarboximidamide?
The canonical SMILES for N'-bromo-3-nitrobenzenecarboximidamide is N/C(=N\Br)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-bromo-3-nitrobenzenecarboximidamide?
The InChIKey is CAZXIOVWFJDMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O2/c8-10-7(9)5-2-1-3-6(4-5)11(12)13/h1-4H,(H2,9,10).
What are the key properties of N'-bromo-3-nitrobenzenecarboximidamide?
N'-bromo-3-nitrobenzenecarboximidamide has a molecular weight of 244.05 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-bromo-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 134988255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).