3-nitrobenzohydrazide

C7H7N3O3 — CID 3291498

IUPAC3-nitrobenzohydrazide
SMILESNNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)
InChIKeyNQEWXLVDAVTOHM-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.20
Rot. Bonds2

About 3-nitrobenzohydrazide

3-nitrobenzohydrazide (PubChem CID 3291498) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 3-nitrobenzohydrazide.

Molecular Properties

Compound Name3-nitrobenzohydrazide
PubChem CID3291498
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name3-nitrobenzohydrazide
SMILESNNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)
InChIKeyNQEWXLVDAVTOHM-UHFFFAOYSA-N
XLogP0.20
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.20
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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Frequently Asked Questions

What is the IUPAC name of 3-nitrobenzohydrazide?
The IUPAC name of 3-nitrobenzohydrazide (CID 3291498) is 3-nitrobenzohydrazide.
What is the SMILES notation for 3-nitrobenzohydrazide?
The canonical SMILES for 3-nitrobenzohydrazide is NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitrobenzohydrazide?
The InChIKey is NQEWXLVDAVTOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11).
What are the key properties of 3-nitrobenzohydrazide?
3-nitrobenzohydrazide has a molecular weight of 181.15 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrobenzohydrazide is sourced from PubChem (CID 3291498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).