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

C10H13NO3 — CID 4614663

IUPACethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1ccc(C)nc1
InChIInChI=1S/C10H13NO3/c1-3-13-10(12)7-14-9-5-4-8(2)11-6-9/h4-6H,3,7H2,1-2H3
InChIKeySLQPGPDBDCSQMM-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.33
Rot. Bonds4

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

ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate (PubChem CID 4614663) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate
PubChem CID4614663
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1ccc(C)nc1
InChIInChI=1S/C10H13NO3/c1-3-13-10(12)7-14-9-5-4-8(2)11-6-9/h4-6H,3,7H2,1-2H3
InChIKeySLQPGPDBDCSQMM-UHFFFAOYSA-N
XLogP1.33
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pozanicline
CID 178052
3-Pyridyl acetate
CID 87289
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-[[(2S)-1-Methyl-2-azetidinyl]methoxy]pyridine
CID 10654912
5-[[(2S)-azetidin-2-yl]methoxy]-2-methylpyridine
CID 18391693
5-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine
CID 21345253
3-[(1-Methylpyrrolidin-2-yl)methoxy]pyridine
CID 21851988
3-Phenoxypyridine
CID 200510
2-(Pyridin-3-yloxy)acetic acid
CID 3159630

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate?
The IUPAC name of ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate (CID 4614663) is ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate?
The canonical SMILES for ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate is CCOC(=O)COc1ccc(C)nc1.
What is the InChIKey of ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate?
The InChIKey is SLQPGPDBDCSQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-13-10(12)7-14-9-5-4-8(2)11-6-9/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate?
ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate has a molecular weight of 195.22 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methyl-3-pyridinyl)oxy]acetate is sourced from PubChem (CID 4614663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).