tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate

C11H13ClINO3 — CID 118095879

IUPACtert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(I)nc1Cl
InChIInChI=1S/C11H13ClINO3/c1-11(2,3)17-9(15)6-16-7-4-5-8(13)14-10(7)12/h4-5H,6H2,1-3H3
InChIKeyBUQNQKHQRXDTBN-UHFFFAOYSA-N
MW369.59 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate

tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate (PubChem CID 118095879) has the molecular formula C11H13ClINO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate
PubChem CID118095879
Molecular FormulaC11H13ClINO3
Molecular Weight369.59 g/mol
Exact Mass368.96
IUPAC Nametert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(I)nc1Cl
InChIInChI=1S/C11H13ClINO3/c1-11(2,3)17-9(15)6-16-7-4-5-8(13)14-10(7)12/h4-5H,6H2,1-3H3
InChIKeyBUQNQKHQRXDTBN-UHFFFAOYSA-N
XLogP3.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamate
CID 146320127
tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2-methylpropanoate
CID 118095776
tert-butyl 2-(3-chloro-2-iodophenoxy)acetate
CID 16741488
tert-butyl 2-[4-chloro-2-(hydroxymethyl)phenoxy]acetate
CID 86631069
tert-butyl 2-(4-ethyl-2-iodophenoxy)acetate
CID 86005684
tert-butyl 2-(4-chloro-2-formylphenoxy)acetate
CID 51357407
[5-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420070
tert-butyl 2-(3-chloropyrazin-2-yl)oxyacetate
CID 172559901
tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate
CID 70673218
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
tert-butyl 2-(2-methyl-4-sulfanylphenoxy)acetate
CID 67072235
tert-butyl 2-[(5-chloro-4-iodo-2-pyridinyl)oxy]acetate
CID 178159328

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate?
The IUPAC name of tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate (CID 118095879) is tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate.
What is the SMILES notation for tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate?
The canonical SMILES for tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate is CC(C)(C)OC(=O)COc1ccc(I)nc1Cl.
What is the InChIKey of tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate?
The InChIKey is BUQNQKHQRXDTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO3/c1-11(2,3)17-9(15)6-16-7-4-5-8(13)14-10(7)12/h4-5H,6H2,1-3H3.
What are the key properties of tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate?
tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate has a molecular weight of 369.59 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate is sourced from PubChem (CID 118095879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).