pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate

C15H15NO3 — CID 75412922

IUPACpyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCc2ccccn2)c1
InChIInChI=1S/C15H15NO3/c1-18-14-7-4-5-12(9-14)10-15(17)19-11-13-6-2-3-8-16-13/h2-9H,10-11H2,1H3
InChIKeyHWAUATLRCJVBHR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.38
Rot. Bonds5

About pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate

pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate (PubChem CID 75412922) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate
PubChem CID75412922
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namepyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCc2ccccn2)c1
InChIInChI=1S/C15H15NO3/c1-18-14-7-4-5-12(9-14)10-15(17)19-11-13-6-2-3-8-16-13/h2-9H,10-11H2,1H3
InChIKeyHWAUATLRCJVBHR-UHFFFAOYSA-N
XLogP2.38
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate?
The IUPAC name of pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate (CID 75412922) is pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate?
The canonical SMILES for pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCc2ccccn2)c1.
What is the InChIKey of pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate?
The InChIKey is HWAUATLRCJVBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-14-7-4-5-12(9-14)10-15(17)19-11-13-6-2-3-8-16-13/h2-9H,10-11H2,1H3.
What are the key properties of pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate?
pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate has a molecular weight of 257.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 75412922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).