methyl 2-pyridin-4-yloxyacetate

C8H9NO3 — CID 90026078

IUPACmethyl 2-pyridin-4-yloxyacetate
SMILESCOC(=O)COc1ccncc1
InChIInChI=1S/C8H9NO3/c1-11-8(10)6-12-7-2-4-9-5-3-7/h2-5H,6H2,1H3
InChIKeyZBFQDVQGABGHIP-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.63
Rot. Bonds3

About methyl 2-pyridin-4-yloxyacetate

methyl 2-pyridin-4-yloxyacetate (PubChem CID 90026078) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 2-pyridin-4-yloxyacetate.

Molecular Properties

Compound Namemethyl 2-pyridin-4-yloxyacetate
PubChem CID90026078
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 2-pyridin-4-yloxyacetate
SMILESCOC(=O)COc1ccncc1
InChIInChI=1S/C8H9NO3/c1-11-8(10)6-12-7-2-4-9-5-3-7/h2-5H,6H2,1H3
InChIKeyZBFQDVQGABGHIP-UHFFFAOYSA-N
XLogP0.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride
CID 68860648
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl 2-(4-propylphenoxy)acetate
CID 19911850
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate
CID 173159456

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-4-yloxyacetate?
The IUPAC name of methyl 2-pyridin-4-yloxyacetate (CID 90026078) is methyl 2-pyridin-4-yloxyacetate.
What is the SMILES notation for methyl 2-pyridin-4-yloxyacetate?
The canonical SMILES for methyl 2-pyridin-4-yloxyacetate is COC(=O)COc1ccncc1.
What is the InChIKey of methyl 2-pyridin-4-yloxyacetate?
The InChIKey is ZBFQDVQGABGHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-11-8(10)6-12-7-2-4-9-5-3-7/h2-5H,6H2,1H3.
What are the key properties of methyl 2-pyridin-4-yloxyacetate?
methyl 2-pyridin-4-yloxyacetate has a molecular weight of 167.16 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-4-yloxyacetate is sourced from PubChem (CID 90026078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).