2-nitrobenzenecarboximidamide;hydrochloride

C7H8ClN3O2 — CID 21271815

IUPAC2-nitrobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O2.ClH/c8-7(9)5-3-1-2-4-6(5)10(11)12;/h1-4H,(H3,8,9);1H
InChIKeyAUXXZZHQJXFJTC-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.30
Rot. Bonds2

About 2-nitrobenzenecarboximidamide;hydrochloride

2-nitrobenzenecarboximidamide;hydrochloride (PubChem CID 21271815) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-nitrobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-nitrobenzenecarboximidamide;hydrochloride
PubChem CID21271815
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-nitrobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O2.ClH/c8-7(9)5-3-1-2-4-6(5)10(11)12;/h1-4H,(H3,8,9);1H
InChIKeyAUXXZZHQJXFJTC-UHFFFAOYSA-N
XLogP1.30
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.30
H-Bond Donors ≤ 52
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

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2-(2-nitrophenoxy)pyridine-3-carboximidamide
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3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
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4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide
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Frequently Asked Questions

What is the IUPAC name of 2-nitrobenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-nitrobenzenecarboximidamide;hydrochloride (CID 21271815) is 2-nitrobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-nitrobenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-nitrobenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitrobenzenecarboximidamide;hydrochloride?
The InChIKey is AUXXZZHQJXFJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2.ClH/c8-7(9)5-3-1-2-4-6(5)10(11)12;/h1-4H,(H3,8,9);1H.
What are the key properties of 2-nitrobenzenecarboximidamide;hydrochloride?
2-nitrobenzenecarboximidamide;hydrochloride has a molecular weight of 201.61 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 21271815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).