[6-(2-methoxyethyl)-2-pyridinyl] acetate

C10H13NO3 — CID 166437561

IUPAC[6-(2-methoxyethyl)-2-pyridinyl] acetate
SMILESCOCCc1cccc(OC(C)=O)n1
InChIInChI=1S/C10H13NO3/c1-8(12)14-10-5-3-4-9(11-10)6-7-13-2/h3-5H,6-7H2,1-2H3
InChIKeySIFBHOYDHUUDCF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.20
Rot. Bonds4

About [6-(2-methoxyethyl)-2-pyridinyl] acetate

[6-(2-methoxyethyl)-2-pyridinyl] acetate (PubChem CID 166437561) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is [6-(2-methoxyethyl)-2-pyridinyl] acetate.

Molecular Properties

Compound Name[6-(2-methoxyethyl)-2-pyridinyl] acetate
PubChem CID166437561
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name[6-(2-methoxyethyl)-2-pyridinyl] acetate
SMILESCOCCc1cccc(OC(C)=O)n1
InChIInChI=1S/C10H13NO3/c1-8(12)14-10-5-3-4-9(11-10)6-7-13-2/h3-5H,6-7H2,1-2H3
InChIKeySIFBHOYDHUUDCF-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyethyl)-2-pyridinyl] acetate?
The IUPAC name of [6-(2-methoxyethyl)-2-pyridinyl] acetate (CID 166437561) is [6-(2-methoxyethyl)-2-pyridinyl] acetate.
What is the SMILES notation for [6-(2-methoxyethyl)-2-pyridinyl] acetate?
The canonical SMILES for [6-(2-methoxyethyl)-2-pyridinyl] acetate is COCCc1cccc(OC(C)=O)n1.
What is the InChIKey of [6-(2-methoxyethyl)-2-pyridinyl] acetate?
The InChIKey is SIFBHOYDHUUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8(12)14-10-5-3-4-9(11-10)6-7-13-2/h3-5H,6-7H2,1-2H3.
What are the key properties of [6-(2-methoxyethyl)-2-pyridinyl] acetate?
[6-(2-methoxyethyl)-2-pyridinyl] acetate has a molecular weight of 195.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyethyl)-2-pyridinyl] acetate is sourced from PubChem (CID 166437561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).