2-ethyl-6-hydrazinylbenzoic acid

C9H12N2O2 — CID 130775048

IUPAC2-ethyl-6-hydrazinylbenzoic acid
SMILESCCc1cccc(NN)c1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-2-6-4-3-5-7(11-10)8(6)9(12)13/h3-5,11H,2,10H2,1H3,(H,12,13)
InChIKeyWKHKJCGFHHVICJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.23
Rot. Bonds3

About 2-ethyl-6-hydrazinylbenzoic acid

2-ethyl-6-hydrazinylbenzoic acid (PubChem CID 130775048) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinylbenzoic acid.

Molecular Properties

Compound Name2-ethyl-6-hydrazinylbenzoic acid
PubChem CID130775048
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-ethyl-6-hydrazinylbenzoic acid
SMILESCCc1cccc(NN)c1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-2-6-4-3-5-7(11-10)8(6)9(12)13/h3-5,11H,2,10H2,1H3,(H,12,13)
InChIKeyWKHKJCGFHHVICJ-UHFFFAOYSA-N
XLogP1.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.23
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-ethyl-6-hydrazinylbenzoic acid?
The IUPAC name of 2-ethyl-6-hydrazinylbenzoic acid (CID 130775048) is 2-ethyl-6-hydrazinylbenzoic acid.
What is the SMILES notation for 2-ethyl-6-hydrazinylbenzoic acid?
The canonical SMILES for 2-ethyl-6-hydrazinylbenzoic acid is CCc1cccc(NN)c1C(=O)O.
What is the InChIKey of 2-ethyl-6-hydrazinylbenzoic acid?
The InChIKey is WKHKJCGFHHVICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-6-4-3-5-7(11-10)8(6)9(12)13/h3-5,11H,2,10H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-6-hydrazinylbenzoic acid?
2-ethyl-6-hydrazinylbenzoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinylbenzoic acid is sourced from PubChem (CID 130775048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).