2-ethoxy-5-hydrazinylbenzaldehyde

C9H12N2O2 — CID 131214024

IUPAC2-ethoxy-5-hydrazinylbenzaldehyde
SMILESCCOc1ccc(NN)cc1C=O
InChIInChI=1S/C9H12N2O2/c1-2-13-9-4-3-8(11-10)5-7(9)6-12/h3-6,11H,2,10H2,1H3
InChIKeyDVZBJNLLNODYAB-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.18
Rot. Bonds4

About 2-ethoxy-5-hydrazinylbenzaldehyde

2-ethoxy-5-hydrazinylbenzaldehyde (PubChem CID 131214024) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-ethoxy-5-hydrazinylbenzaldehyde.

Molecular Properties

Compound Name2-ethoxy-5-hydrazinylbenzaldehyde
PubChem CID131214024
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-ethoxy-5-hydrazinylbenzaldehyde
SMILESCCOc1ccc(NN)cc1C=O
InChIInChI=1S/C9H12N2O2/c1-2-13-9-4-3-8(11-10)5-7(9)6-12/h3-6,11H,2,10H2,1H3
InChIKeyDVZBJNLLNODYAB-UHFFFAOYSA-N
XLogP1.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-5-hydrazinylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-5-sulfanylbenzaldehyde
CID 155017600
(3-ethoxy-4-nitrophenyl)hydrazine
CID 63670732
4-ethoxy-3-formylbenzoic acid
CID 40655849
(4-ethoxy-3-formylphenyl)-methylborinic acid
CID 89271667
(4-ethoxy-3-formylphenyl)-ethylborinic acid
CID 89271439
2-amino-5-hydrazinylbenzaldehyde
CID 88668282
[3-ethoxy-4-(4-hydrazinylphenyl)phenyl]hydrazine
CID 19908639
2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile
CID 131191413
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
ethyl 3-(4-ethoxy-3-formylphenyl)-2,3-dihydroxypropanoate
CID 171866656
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-hydrazinylbenzaldehyde?
The IUPAC name of 2-ethoxy-5-hydrazinylbenzaldehyde (CID 131214024) is 2-ethoxy-5-hydrazinylbenzaldehyde.
What is the SMILES notation for 2-ethoxy-5-hydrazinylbenzaldehyde?
The canonical SMILES for 2-ethoxy-5-hydrazinylbenzaldehyde is CCOc1ccc(NN)cc1C=O.
What is the InChIKey of 2-ethoxy-5-hydrazinylbenzaldehyde?
The InChIKey is DVZBJNLLNODYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-9-4-3-8(11-10)5-7(9)6-12/h3-6,11H,2,10H2,1H3.
What are the key properties of 2-ethoxy-5-hydrazinylbenzaldehyde?
2-ethoxy-5-hydrazinylbenzaldehyde has a molecular weight of 180.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-hydrazinylbenzaldehyde is sourced from PubChem (CID 131214024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).