4-hydrazinylbenzoic acid

C7H8N2O2 — CID 12089

IUPAC4-hydrazinylbenzoic acid
SMILESNNc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)
InChIKeyPCNFLKVWBDNNOW-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.67
Rot. Bonds2

About 4-hydrazinylbenzoic acid

4-hydrazinylbenzoic acid (PubChem CID 12089) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-hydrazinylbenzoic acid.

Molecular Properties

Compound Name4-hydrazinylbenzoic acid
PubChem CID12089
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name4-hydrazinylbenzoic acid
SMILESNNc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)
InChIKeyPCNFLKVWBDNNOW-UHFFFAOYSA-N
XLogP0.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.67
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 4-hydrazinylbenzoic acid?
The IUPAC name of 4-hydrazinylbenzoic acid (CID 12089) is 4-hydrazinylbenzoic acid.
What is the SMILES notation for 4-hydrazinylbenzoic acid?
The canonical SMILES for 4-hydrazinylbenzoic acid is NNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-hydrazinylbenzoic acid?
The InChIKey is PCNFLKVWBDNNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11).
What are the key properties of 4-hydrazinylbenzoic acid?
4-hydrazinylbenzoic acid has a molecular weight of 152.15 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinylbenzoic acid is sourced from PubChem (CID 12089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).