tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate

C11H14Cl2N2O2 — CID 149020949

IUPACtert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate
SMILESCC(C)(C)OC(=O)Cc1cc(Cl)nc(Cl)c1N
InChIInChI=1S/C11H14Cl2N2O2/c1-11(2,3)17-8(16)5-6-4-7(12)15-10(13)9(6)14/h4H,5,14H2,1-3H3
InChIKeyQDLJFJZCMAYALH-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.85
Rot. Bonds2

About tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate

tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate (PubChem CID 149020949) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate
PubChem CID149020949
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Nametert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate
SMILESCC(C)(C)OC(=O)Cc1cc(Cl)nc(Cl)c1N
InChIInChI=1S/C11H14Cl2N2O2/c1-11(2,3)17-8(16)5-6-4-7(12)15-10(13)9(6)14/h4H,5,14H2,1-3H3
InChIKeyQDLJFJZCMAYALH-UHFFFAOYSA-N
XLogP2.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate (CID 149020949) is tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate is CC(C)(C)OC(=O)Cc1cc(Cl)nc(Cl)c1N.
What is the InChIKey of tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate?
The InChIKey is QDLJFJZCMAYALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-11(2,3)17-8(16)5-6-4-7(12)15-10(13)9(6)14/h4H,5,14H2,1-3H3.
What are the key properties of tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate?
tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate has a molecular weight of 277.15 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate is sourced from PubChem (CID 149020949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).