ethyl 6-hydrazinylpyridine-3-carboxylate

C8H11N3O2 — CID 54325624

IUPACethyl 6-hydrazinylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NN)nc1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)6-3-4-7(11-9)10-5-6/h3-5H,2,9H2,1H3,(H,10,11)
InChIKeySURXNMWQQYCEDX-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.54
Rot. Bonds3

About ethyl 6-hydrazinylpyridine-3-carboxylate

ethyl 6-hydrazinylpyridine-3-carboxylate (PubChem CID 54325624) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 6-hydrazinylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydrazinylpyridine-3-carboxylate
PubChem CID54325624
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameethyl 6-hydrazinylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NN)nc1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)6-3-4-7(11-9)10-5-6/h3-5H,2,9H2,1H3,(H,10,11)
InChIKeySURXNMWQQYCEDX-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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydrazinylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-hydrazinylpyridine-3-carboxylate (CID 54325624) is ethyl 6-hydrazinylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-hydrazinylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-hydrazinylpyridine-3-carboxylate is CCOC(=O)c1ccc(NN)nc1.
What is the InChIKey of ethyl 6-hydrazinylpyridine-3-carboxylate?
The InChIKey is SURXNMWQQYCEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-13-8(12)6-3-4-7(11-9)10-5-6/h3-5H,2,9H2,1H3,(H,10,11).
What are the key properties of ethyl 6-hydrazinylpyridine-3-carboxylate?
ethyl 6-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 6-hydrazinylpyridine-3-carboxylate is sourced from PubChem (CID 54325624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).