2-hydroxy-3,5-dinitrobenzohydrazide

C7H6N4O6 — CID 3663247

IUPAC2-hydroxy-3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C7H6N4O6/c8-9-7(13)4-1-3(10(14)15)2-5(6(4)12)11(16)17/h1-2,12H,8H2,(H,9,13)
InChIKeyHWTXGJCHJRRKNS-UHFFFAOYSA-N
MW242.15 g/mol
LogP-0.19
Rot. Bonds3

About 2-hydroxy-3,5-dinitrobenzohydrazide

2-hydroxy-3,5-dinitrobenzohydrazide (PubChem CID 3663247) has the molecular formula C7H6N4O6 and a molecular weight of 242.15 g/mol. Its IUPAC name is 2-hydroxy-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound Name2-hydroxy-3,5-dinitrobenzohydrazide
PubChem CID3663247
Molecular FormulaC7H6N4O6
Molecular Weight242.15 g/mol
Exact Mass242.03
IUPAC Name2-hydroxy-3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C7H6N4O6/c8-9-7(13)4-1-3(10(14)15)2-5(6(4)12)11(16)17/h1-2,12H,8H2,(H,9,13)
InChIKeyHWTXGJCHJRRKNS-UHFFFAOYSA-N
XLogP-0.19
TPSA161.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-dinitrobenzohydrazide?
The IUPAC name of 2-hydroxy-3,5-dinitrobenzohydrazide (CID 3663247) is 2-hydroxy-3,5-dinitrobenzohydrazide.
What is the SMILES notation for 2-hydroxy-3,5-dinitrobenzohydrazide?
The canonical SMILES for 2-hydroxy-3,5-dinitrobenzohydrazide is NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3,5-dinitrobenzohydrazide?
The InChIKey is HWTXGJCHJRRKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O6/c8-9-7(13)4-1-3(10(14)15)2-5(6(4)12)11(16)17/h1-2,12H,8H2,(H,9,13).
What are the key properties of 2-hydroxy-3,5-dinitrobenzohydrazide?
2-hydroxy-3,5-dinitrobenzohydrazide has a molecular weight of 242.15 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 3663247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).