tert-butyl 2-hydrazinylpyridine-4-carboxylate

C10H15N3O2 — CID 68706251

IUPACtert-butyl 2-hydrazinylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(NN)c1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)7-4-5-12-8(6-7)13-11/h4-6H,11H2,1-3H3,(H,12,13)
InChIKeyXUVUGWJGZHCLHZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl 2-hydrazinylpyridine-4-carboxylate

tert-butyl 2-hydrazinylpyridine-4-carboxylate (PubChem CID 68706251) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is tert-butyl 2-hydrazinylpyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-hydrazinylpyridine-4-carboxylate
PubChem CID68706251
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nametert-butyl 2-hydrazinylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(NN)c1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)7-4-5-12-8(6-7)13-11/h4-6H,11H2,1-3H3,(H,12,13)
InChIKeyXUVUGWJGZHCLHZ-UHFFFAOYSA-N
XLogP1.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.32
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 tert-butyl 2-hydrazinylpyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-hydrazinylpyridine-4-carboxylate (CID 68706251) is tert-butyl 2-hydrazinylpyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-hydrazinylpyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-hydrazinylpyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(NN)c1.
What is the InChIKey of tert-butyl 2-hydrazinylpyridine-4-carboxylate?
The InChIKey is XUVUGWJGZHCLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)7-4-5-12-8(6-7)13-11/h4-6H,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl 2-hydrazinylpyridine-4-carboxylate?
tert-butyl 2-hydrazinylpyridine-4-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydrazinylpyridine-4-carboxylate is sourced from PubChem (CID 68706251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).