ethyl 5-hydrazinylpyridine-3-carboxylate

C8H11N3O2 — CID 112757253

IUPACethyl 5-hydrazinylpyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NN)c1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)6-3-7(11-9)5-10-4-6/h3-5,11H,2,9H2,1H3
InChIKeyAMJRUQIQXSCJIO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.54
Rot. Bonds3

About ethyl 5-hydrazinylpyridine-3-carboxylate

ethyl 5-hydrazinylpyridine-3-carboxylate (PubChem CID 112757253) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 5-hydrazinylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydrazinylpyridine-3-carboxylate
PubChem CID112757253
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameethyl 5-hydrazinylpyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NN)c1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)6-3-7(11-9)5-10-4-6/h3-5,11H,2,9H2,1H3
InChIKeyAMJRUQIQXSCJIO-UHFFFAOYSA-N
XLogP0.54
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 5-hydrazinylpyridine-3-carboxylate 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

ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159
ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
CID 82535099
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
3-[(5-ethoxycarbonyl-3-pyridinyl)amino]benzoic acid
CID 82535045
ethyl 5-(3-acetylanilino)pyridine-3-carboxylate
CID 82535061
ethyl 5-[(4-methoxycarbonylphenyl)methylamino]pyridine-3-carboxylate
CID 110453092
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate
CID 82535023
ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate
CID 82535225
ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
CID 70071930
ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate
CID 110453107

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydrazinylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-hydrazinylpyridine-3-carboxylate (CID 112757253) is ethyl 5-hydrazinylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydrazinylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-hydrazinylpyridine-3-carboxylate is CCOC(=O)c1cncc(NN)c1.
What is the InChIKey of ethyl 5-hydrazinylpyridine-3-carboxylate?
The InChIKey is AMJRUQIQXSCJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-13-8(12)6-3-7(11-9)5-10-4-6/h3-5,11H,2,9H2,1H3.
What are the key properties of ethyl 5-hydrazinylpyridine-3-carboxylate?
ethyl 5-hydrazinylpyridine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydrazinylpyridine-3-carboxylate is sourced from PubChem (CID 112757253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).