2-(2-nitrophenyl)ethanimidamide;hydrochloride

C8H10ClN3O2 — CID 172682235

IUPAC2-(2-nitrophenyl)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O2.ClH/c9-8(10)5-6-3-1-2-4-7(6)11(12)13;/h1-4H,5H2,(H3,9,10);1H
InChIKeyAOGGVWGDYCBKJT-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.50
Rot. Bonds3

About 2-(2-nitrophenyl)ethanimidamide;hydrochloride

2-(2-nitrophenyl)ethanimidamide;hydrochloride (PubChem CID 172682235) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(2-nitrophenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(2-nitrophenyl)ethanimidamide;hydrochloride
PubChem CID172682235
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-(2-nitrophenyl)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O2.ClH/c9-8(10)5-6-3-1-2-4-7(6)11(12)13;/h1-4H,5H2,(H3,9,10);1H
InChIKeyAOGGVWGDYCBKJT-UHFFFAOYSA-N
XLogP1.50
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.50
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

2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
3-(2-nitrophenyl)-3-sulfanylidenepropanimidamide
CID 21271849
2-(4-nitrophenyl)ethanimidamide;hydrochloride
CID 46318421
3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253849
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
(2-nitrophenyl)methanol
CID 11923
2-(4-hydroxy-3-nitrophenyl)ethanimidamide
CID 151168662
(2-nitrophenyl)methyl carbamate
CID 21490181
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683
(Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid
CID 138688125
methanol;(2-nitrophenyl)methanol
CID 70046885
3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253851

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)ethanimidamide;hydrochloride?
The IUPAC name of 2-(2-nitrophenyl)ethanimidamide;hydrochloride (CID 172682235) is 2-(2-nitrophenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for 2-(2-nitrophenyl)ethanimidamide;hydrochloride?
The canonical SMILES for 2-(2-nitrophenyl)ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)ethanimidamide;hydrochloride?
The InChIKey is AOGGVWGDYCBKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.ClH/c9-8(10)5-6-3-1-2-4-7(6)11(12)13;/h1-4H,5H2,(H3,9,10);1H.
What are the key properties of 2-(2-nitrophenyl)ethanimidamide;hydrochloride?
2-(2-nitrophenyl)ethanimidamide;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 172682235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).