3,5-dinitrobenzohydrazide

C7H6N4O5 — CID 3329932

IUPAC3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H6N4O5/c8-9-7(12)4-1-5(10(13)14)3-6(2-4)11(15)16/h1-3H,8H2,(H,9,12)
InChIKeyIJVPILVRNBBRSO-UHFFFAOYSA-N
MW226.15 g/mol
LogP0.11
Rot. Bonds3

About 3,5-dinitrobenzohydrazide

3,5-dinitrobenzohydrazide (PubChem CID 3329932) has the molecular formula C7H6N4O5 and a molecular weight of 226.15 g/mol. Its IUPAC name is 3,5-dinitrobenzohydrazide.

Molecular Properties

Compound Name3,5-dinitrobenzohydrazide
PubChem CID3329932
Molecular FormulaC7H6N4O5
Molecular Weight226.15 g/mol
Exact Mass226.03
IUPAC Name3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H6N4O5/c8-9-7(12)4-1-5(10(13)14)3-6(2-4)11(15)16/h1-3H,8H2,(H,9,12)
InChIKeyIJVPILVRNBBRSO-UHFFFAOYSA-N
XLogP0.11
TPSA141.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3,5-dinitrobenzohydrazide?
The IUPAC name of 3,5-dinitrobenzohydrazide (CID 3329932) is 3,5-dinitrobenzohydrazide.
What is the SMILES notation for 3,5-dinitrobenzohydrazide?
The canonical SMILES for 3,5-dinitrobenzohydrazide is NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitrobenzohydrazide?
The InChIKey is IJVPILVRNBBRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O5/c8-9-7(12)4-1-5(10(13)14)3-6(2-4)11(15)16/h1-3H,8H2,(H,9,12).
What are the key properties of 3,5-dinitrobenzohydrazide?
3,5-dinitrobenzohydrazide has a molecular weight of 226.15 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitrobenzohydrazide is sourced from PubChem (CID 3329932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).