ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate

C15H15N3O4 — CID 125464465

IUPACethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate
SMILESCCOC(=O)c1cc([N+](=O)[O-])ccc1NNc1ccccc1
InChIInChI=1S/C15H15N3O4/c1-2-22-15(19)13-10-12(18(20)21)8-9-14(13)17-16-11-6-4-3-5-7-11/h3-10,16-17H,2H2,1H3
InChIKeyHRBCZYLMCQNGGQ-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.21
Rot. Bonds6

About ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate

ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate (PubChem CID 125464465) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate.

Molecular Properties

Compound Nameethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate
PubChem CID125464465
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Nameethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate
SMILESCCOC(=O)c1cc([N+](=O)[O-])ccc1NNc1ccccc1
InChIInChI=1S/C15H15N3O4/c1-2-22-15(19)13-10-12(18(20)21)8-9-14(13)17-16-11-6-4-3-5-7-11/h3-10,16-17H,2H2,1H3
InChIKeyHRBCZYLMCQNGGQ-UHFFFAOYSA-N
XLogP3.21
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 100803906
ethyl 4-nitro-2-[(E)-2-phenylethenyl]benzoate
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ethyl 4-nitro-2-(2-phenylethenyl)benzoate
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ethyl 2-(ethoxymethyl)-5-nitrobenzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate?
The IUPAC name of ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate (CID 125464465) is ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate.
What is the SMILES notation for ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate?
The canonical SMILES for ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate is CCOC(=O)c1cc([N+](=O)[O-])ccc1NNc1ccccc1.
What is the InChIKey of ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate?
The InChIKey is HRBCZYLMCQNGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-22-15(19)13-10-12(18(20)21)8-9-14(13)17-16-11-6-4-3-5-7-11/h3-10,16-17H,2H2,1H3.
What are the key properties of ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate?
ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate has a molecular weight of 301.30 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate is sourced from PubChem (CID 125464465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).