4-nitrobenzohydrazide;hydrochloride

C7H8ClN3O3 — CID 172718286

IUPAC4-nitrobenzohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O3.ClH/c8-9-7(11)5-1-3-6(4-2-5)10(12)13;/h1-4H,8H2,(H,9,11);1H
InChIKeyGDSNYIFJCFWTKL-UHFFFAOYSA-N
MW217.61 g/mol
LogP0.62
Rot. Bonds2

About 4-nitrobenzohydrazide;hydrochloride

4-nitrobenzohydrazide;hydrochloride (PubChem CID 172718286) has the molecular formula C7H8ClN3O3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 4-nitrobenzohydrazide;hydrochloride.

Molecular Properties

Compound Name4-nitrobenzohydrazide;hydrochloride
PubChem CID172718286
Molecular FormulaC7H8ClN3O3
Molecular Weight217.61 g/mol
Exact Mass217.03
IUPAC Name4-nitrobenzohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O3.ClH/c8-9-7(11)5-1-3-6(4-2-5)10(12)13;/h1-4H,8H2,(H,9,11);1H
InChIKeyGDSNYIFJCFWTKL-UHFFFAOYSA-N
XLogP0.62
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide
CID 10043987
N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119521328
2-[(4-nitrobenzoyl)amino]oxyacetic acid
CID 60668150
4-nitro-N-trimethylsilylbenzamide
CID 12726300
N-formyl-4-nitrobenzamide
CID 12550339
4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63578818
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
N-[[amino(nitramido)methylidene]amino]-4-nitrobenzamide
CID 74219905
N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide
CID 54400457
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461

Frequently Asked Questions

What is the IUPAC name of 4-nitrobenzohydrazide;hydrochloride?
The IUPAC name of 4-nitrobenzohydrazide;hydrochloride (CID 172718286) is 4-nitrobenzohydrazide;hydrochloride.
What is the SMILES notation for 4-nitrobenzohydrazide;hydrochloride?
The canonical SMILES for 4-nitrobenzohydrazide;hydrochloride is Cl.NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitrobenzohydrazide;hydrochloride?
The InChIKey is GDSNYIFJCFWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3.ClH/c8-9-7(11)5-1-3-6(4-2-5)10(12)13;/h1-4H,8H2,(H,9,11);1H.
What are the key properties of 4-nitrobenzohydrazide;hydrochloride?
4-nitrobenzohydrazide;hydrochloride has a molecular weight of 217.61 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrobenzohydrazide;hydrochloride is sourced from PubChem (CID 172718286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).