tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate

C11H16ClN3O2 — CID 163388939

IUPACtert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate
SMILESCC(C)(C)OC(=O)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-11(2,3)17-10(16)6-8-7(12)4-5-9(14-8)15-13/h4-5H,6,13H2,1-3H3,(H,14,15)
InChIKeyYYALBNSNBGSTGO-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate

tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate (PubChem CID 163388939) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate
PubChem CID163388939
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Nametert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate
SMILESCC(C)(C)OC(=O)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-11(2,3)17-10(16)6-8-7(12)4-5-9(14-8)15-13/h4-5H,6,13H2,1-3H3,(H,14,15)
InChIKeyYYALBNSNBGSTGO-UHFFFAOYSA-N
XLogP1.90
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.90
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-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate (CID 163388939) is tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate is CC(C)(C)OC(=O)Cc1nc(NN)ccc1Cl.
What is the InChIKey of tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate?
The InChIKey is YYALBNSNBGSTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-11(2,3)17-10(16)6-8-7(12)4-5-9(14-8)15-13/h4-5H,6,13H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate?
tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate has a molecular weight of 257.72 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate is sourced from PubChem (CID 163388939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).