methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate

C8H8ClNO3 — CID 86099194

IUPACmethyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1ccc(Cl)nc1
InChIInChI=1S/C8H8ClNO3/c1-12-8(11)5-13-6-2-3-7(9)10-4-6/h2-4H,5H2,1H3
InChIKeyNQHKPCRHOLMWKM-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.29
Rot. Bonds3

About methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate

methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate (PubChem CID 86099194) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
PubChem CID86099194
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Namemethyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1ccc(Cl)nc1
InChIInChI=1S/C8H8ClNO3/c1-12-8(11)5-13-6-2-3-7(9)10-4-6/h2-4H,5H2,1H3
InChIKeyNQHKPCRHOLMWKM-UHFFFAOYSA-N
XLogP1.29
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-(6-chloro-3-pyridinyl)acetate
CID 142918982
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
CID 57391481
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[[5-(6-chloro-3-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443306
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 2-(6-chloro-1-hydroxypyridin-1-ium-3-yl)oxyacetate
CID 89038869
methyl 2-(3-chloro-4-sulfanylphenoxy)acetate
CID 57256589
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate?
The IUPAC name of methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate (CID 86099194) is methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate.
What is the SMILES notation for methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate?
The canonical SMILES for methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate is COC(=O)COc1ccc(Cl)nc1.
What is the InChIKey of methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate?
The InChIKey is NQHKPCRHOLMWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-12-8(11)5-13-6-2-3-7(9)10-4-6/h2-4H,5H2,1H3.
What are the key properties of methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate?
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate has a molecular weight of 201.61 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate is sourced from PubChem (CID 86099194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).