3-methyl-4-nitrobenzohydrazide

C8H9N3O3 — CID 3308571

IUPAC3-methyl-4-nitrobenzohydrazide
SMILESCc1cc(C(=O)NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3/c1-5-4-6(8(12)10-9)2-3-7(5)11(13)14/h2-4H,9H2,1H3,(H,10,12)
InChIKeySMRIMKXHORAHJR-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.51
Rot. Bonds2

About 3-methyl-4-nitrobenzohydrazide

3-methyl-4-nitrobenzohydrazide (PubChem CID 3308571) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-methyl-4-nitrobenzohydrazide.

Molecular Properties

Compound Name3-methyl-4-nitrobenzohydrazide
PubChem CID3308571
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name3-methyl-4-nitrobenzohydrazide
SMILESCc1cc(C(=O)NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3/c1-5-4-6(8(12)10-9)2-3-7(5)11(13)14/h2-4H,9H2,1H3,(H,10,12)
InChIKeySMRIMKXHORAHJR-UHFFFAOYSA-N
XLogP0.51
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.51
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-methyl-4-nitrobenzohydrazide?
The IUPAC name of 3-methyl-4-nitrobenzohydrazide (CID 3308571) is 3-methyl-4-nitrobenzohydrazide.
What is the SMILES notation for 3-methyl-4-nitrobenzohydrazide?
The canonical SMILES for 3-methyl-4-nitrobenzohydrazide is Cc1cc(C(=O)NN)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitrobenzohydrazide?
The InChIKey is SMRIMKXHORAHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-5-4-6(8(12)10-9)2-3-7(5)11(13)14/h2-4H,9H2,1H3,(H,10,12).
What are the key properties of 3-methyl-4-nitrobenzohydrazide?
3-methyl-4-nitrobenzohydrazide has a molecular weight of 195.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitrobenzohydrazide is sourced from PubChem (CID 3308571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).