tert-butyl 6-hydrazinylpyridine-3-carboxylate

C10H15N3O2 — CID 45089857

IUPACtert-butyl 6-hydrazinylpyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(NN)nc1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)7-4-5-8(13-11)12-6-7/h4-6H,11H2,1-3H3,(H,12,13)
InChIKeyLGHKHMSCVFCTRZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl 6-hydrazinylpyridine-3-carboxylate

tert-butyl 6-hydrazinylpyridine-3-carboxylate (PubChem CID 45089857) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is tert-butyl 6-hydrazinylpyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-hydrazinylpyridine-3-carboxylate
PubChem CID45089857
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nametert-butyl 6-hydrazinylpyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(NN)nc1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)7-4-5-8(13-11)12-6-7/h4-6H,11H2,1-3H3,(H,12,13)
InChIKeyLGHKHMSCVFCTRZ-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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Related Compounds

CID 72930
CID 72930
CID 737487
CID 737487
CID 18496
CID 18496
CID 99209
CID 99209
CID 28400003
CID 28400003
CID 351633
CID 351633
CID 9964149
CID 9964149
CID 22271415
CID 22271415
CID 45084752
CID 45084752
CID 12433260
CID 12433260
CID 4080547
CID 4080547
CID 11744994
CID 11744994

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-hydrazinylpyridine-3-carboxylate?
The IUPAC name of tert-butyl 6-hydrazinylpyridine-3-carboxylate (CID 45089857) is tert-butyl 6-hydrazinylpyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 6-hydrazinylpyridine-3-carboxylate?
The canonical SMILES for tert-butyl 6-hydrazinylpyridine-3-carboxylate is CC(C)(C)OC(=O)c1ccc(NN)nc1.
What is the InChIKey of tert-butyl 6-hydrazinylpyridine-3-carboxylate?
The InChIKey is LGHKHMSCVFCTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)7-4-5-8(13-11)12-6-7/h4-6H,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl 6-hydrazinylpyridine-3-carboxylate?
tert-butyl 6-hydrazinylpyridine-3-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 6-hydrazinylpyridine-3-carboxylate is sourced from PubChem (CID 45089857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).