ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate

C8H10ClN3O2 — CID 56773840

IUPACethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1NN
InChIInChI=1S/C8H10ClN3O2/c1-2-14-8(13)5-4-11-7(9)3-6(5)12-10/h3-4H,2,10H2,1H3,(H,11,12)
InChIKeyIJTSWKZASWNNMA-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.20
Rot. Bonds3

About ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate

ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate (PubChem CID 56773840) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate
PubChem CID56773840
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Nameethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1NN
InChIInChI=1S/C8H10ClN3O2/c1-2-14-8(13)5-4-11-7(9)3-6(5)12-10/h3-4H,2,10H2,1H3,(H,11,12)
InChIKeyIJTSWKZASWNNMA-UHFFFAOYSA-N
XLogP1.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-chloro-4-hydrazinylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate (CID 56773840) is ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate is CCOC(=O)c1cnc(Cl)cc1NN.
What is the InChIKey of ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate?
The InChIKey is IJTSWKZASWNNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-2-14-8(13)5-4-11-7(9)3-6(5)12-10/h3-4H,2,10H2,1H3,(H,11,12).
What are the key properties of ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate?
ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate has a molecular weight of 215.64 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate is sourced from PubChem (CID 56773840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).