2-hydrazinylbenzoic acid;hydron;chloride

C7H9ClN2O2 — CID 51064113

IUPAC2-hydrazinylbenzoic acid;hydron;chloride
SMILESNNc1ccccc1C(=O)O.[Cl-].[H+]
InChIInChI=1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
InChIKeyZGNNOFKURIXXRF-UHFFFAOYSA-N
MW188.61 g/mol
LogP-2.21
Rot. Bonds2

About 2-hydrazinylbenzoic acid;hydron;chloride

2-hydrazinylbenzoic acid;hydron;chloride (PubChem CID 51064113) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-hydrazinylbenzoic acid;hydron;chloride.

Molecular Properties

Compound Name2-hydrazinylbenzoic acid;hydron;chloride
PubChem CID51064113
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-hydrazinylbenzoic acid;hydron;chloride
SMILESNNc1ccccc1C(=O)O.[Cl-].[H+]
InChIInChI=1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
InChIKeyZGNNOFKURIXXRF-UHFFFAOYSA-N
XLogP-2.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinylbenzoic acid;hydron;chloride?
The IUPAC name of 2-hydrazinylbenzoic acid;hydron;chloride (CID 51064113) is 2-hydrazinylbenzoic acid;hydron;chloride.
What is the SMILES notation for 2-hydrazinylbenzoic acid;hydron;chloride?
The canonical SMILES for 2-hydrazinylbenzoic acid;hydron;chloride is NNc1ccccc1C(=O)O.[Cl-].[H+].
What is the InChIKey of 2-hydrazinylbenzoic acid;hydron;chloride?
The InChIKey is ZGNNOFKURIXXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H.
What are the key properties of 2-hydrazinylbenzoic acid;hydron;chloride?
2-hydrazinylbenzoic acid;hydron;chloride has a molecular weight of 188.61 g/mol, XLogP of -2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylbenzoic acid;hydron;chloride is sourced from PubChem (CID 51064113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).