pyridin-2-ylmethyl acetate

C8H9NO2 — CID 13881

IUPACpyridin-2-ylmethyl acetate
SMILESCC(=O)OCc1ccccn1
InChIInChI=1S/C8H9NO2/c1-7(10)11-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3
InChIKeyKEYZUMLVDCHSTP-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.14
Rot. Bonds2

About pyridin-2-ylmethyl acetate

pyridin-2-ylmethyl acetate (PubChem CID 13881) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is pyridin-2-ylmethyl acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl acetate
PubChem CID13881
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namepyridin-2-ylmethyl acetate
SMILESCC(=O)OCc1ccccn1
InChIInChI=1S/C8H9NO2/c1-7(10)11-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3
InChIKeyKEYZUMLVDCHSTP-UHFFFAOYSA-N
XLogP1.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl acetate?
The IUPAC name of pyridin-2-ylmethyl acetate (CID 13881) is pyridin-2-ylmethyl acetate.
What is the SMILES notation for pyridin-2-ylmethyl acetate?
The canonical SMILES for pyridin-2-ylmethyl acetate is CC(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl acetate?
The InChIKey is KEYZUMLVDCHSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-7(10)11-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3.
What are the key properties of pyridin-2-ylmethyl acetate?
pyridin-2-ylmethyl acetate has a molecular weight of 151.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl acetate is sourced from PubChem (CID 13881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).