2,3-dinitrobenzohydrazide

C7H6N4O5 — CID 23288491

IUPAC2,3-dinitrobenzohydrazide
SMILESNNC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O5/c8-9-7(12)4-2-1-3-5(10(13)14)6(4)11(15)16/h1-3H,8H2,(H,9,12)
InChIKeyKMSISJZEQXGYJJ-UHFFFAOYSA-N
MW226.15 g/mol
LogP0.11
Rot. Bonds3

About 2,3-dinitrobenzohydrazide

2,3-dinitrobenzohydrazide (PubChem CID 23288491) has the molecular formula C7H6N4O5 and a molecular weight of 226.15 g/mol. Its IUPAC name is 2,3-dinitrobenzohydrazide.

Molecular Properties

Compound Name2,3-dinitrobenzohydrazide
PubChem CID23288491
Molecular FormulaC7H6N4O5
Molecular Weight226.15 g/mol
Exact Mass226.03
IUPAC Name2,3-dinitrobenzohydrazide
SMILESNNC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O5/c8-9-7(12)4-2-1-3-5(10(13)14)6(4)11(15)16/h1-3H,8H2,(H,9,12)
InChIKeyKMSISJZEQXGYJJ-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 2,3-dinitrobenzohydrazide?
The IUPAC name of 2,3-dinitrobenzohydrazide (CID 23288491) is 2,3-dinitrobenzohydrazide.
What is the SMILES notation for 2,3-dinitrobenzohydrazide?
The canonical SMILES for 2,3-dinitrobenzohydrazide is NNC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 2,3-dinitrobenzohydrazide?
The InChIKey is KMSISJZEQXGYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O5/c8-9-7(12)4-2-1-3-5(10(13)14)6(4)11(15)16/h1-3H,8H2,(H,9,12).
What are the key properties of 2,3-dinitrobenzohydrazide?
2,3-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 2,3-dinitrobenzohydrazide is sourced from PubChem (CID 23288491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).