N'-amino-3-nitrobenzenecarboximidamide;hydrochloride

C7H9ClN4O2 — CID 87664105

IUPACN'-amino-3-nitrobenzenecarboximidamide;hydrochloride
SMILESCl.N/N=C(\N)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H8N4O2.ClH/c8-7(10-9)5-2-1-3-6(4-5)11(12)13;/h1-4H,9H2,(H2,8,10);1H
InChIKeyYEQUCHBVRVRMTQ-UHFFFAOYSA-N
MW216.63 g/mol
LogP0.60
Rot. Bonds2

About N'-amino-3-nitrobenzenecarboximidamide;hydrochloride

N'-amino-3-nitrobenzenecarboximidamide;hydrochloride (PubChem CID 87664105) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is N'-amino-3-nitrobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-amino-3-nitrobenzenecarboximidamide;hydrochloride
PubChem CID87664105
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC NameN'-amino-3-nitrobenzenecarboximidamide;hydrochloride
SMILESCl.N/N=C(\N)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H8N4O2.ClH/c8-7(10-9)5-2-1-3-6(4-5)11(12)13;/h1-4H,9H2,(H2,8,10);1H
InChIKeyYEQUCHBVRVRMTQ-UHFFFAOYSA-N
XLogP0.60
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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'-bromo-3-nitrobenzenecarboximidamide
CID 134988255
N'-(4-methylsulfonylphenyl)-3-nitrobenzenecarboximidamide
CID 10829426
1-(3-nitrophenyl)ethenol
CID 12600881
1-(3-nitrophenyl)ethanone;(E)-1-(3-nitrophenyl)ethylidenehydrazine
CID 172958037
benzamide;3-nitrobenzoic acid
CID 139144379
3-nitrobenzoyl iodide
CID 87511250
[(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-chlorobenzoate
CID 5332695
[(3-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazine
CID 835463
(Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine
CID 165401758
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
[[amino-(3-nitrophenyl)methylidene]amino] 2-bromobenzoate
CID 2841936
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-nitrobenzenecarboximidamide;hydrochloride?
The IUPAC name of N'-amino-3-nitrobenzenecarboximidamide;hydrochloride (CID 87664105) is N'-amino-3-nitrobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N'-amino-3-nitrobenzenecarboximidamide;hydrochloride?
The canonical SMILES for N'-amino-3-nitrobenzenecarboximidamide;hydrochloride is Cl.N/N=C(\N)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-amino-3-nitrobenzenecarboximidamide;hydrochloride?
The InChIKey is YEQUCHBVRVRMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2.ClH/c8-7(10-9)5-2-1-3-6(4-5)11(12)13;/h1-4H,9H2,(H2,8,10);1H.
What are the key properties of N'-amino-3-nitrobenzenecarboximidamide;hydrochloride?
N'-amino-3-nitrobenzenecarboximidamide;hydrochloride has a molecular weight of 216.63 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-nitrobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 87664105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).