methyl 2-(4H-pyridin-1-yl)acetate

C8H11NO2 — CID 68875683

IUPACmethyl 2-(4H-pyridin-1-yl)acetate
SMILESCOC(=O)CN1C=CCC=C1
InChIInChI=1S/C8H11NO2/c1-11-8(10)7-9-5-3-2-4-6-9/h3-6H,2,7H2,1H3
InChIKeyDOQAKFPVYJCEHL-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.89
Rot. Bonds2

About methyl 2-(4H-pyridin-1-yl)acetate

methyl 2-(4H-pyridin-1-yl)acetate (PubChem CID 68875683) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 2-(4H-pyridin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4H-pyridin-1-yl)acetate
PubChem CID68875683
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 2-(4H-pyridin-1-yl)acetate
SMILESCOC(=O)CN1C=CCC=C1
InChIInChI=1S/C8H11NO2/c1-11-8(10)7-9-5-3-2-4-6-9/h3-6H,2,7H2,1H3
InChIKeyDOQAKFPVYJCEHL-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4H-pyridin-1-yl)acetate?
The IUPAC name of methyl 2-(4H-pyridin-1-yl)acetate (CID 68875683) is methyl 2-(4H-pyridin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4H-pyridin-1-yl)acetate?
The canonical SMILES for methyl 2-(4H-pyridin-1-yl)acetate is COC(=O)CN1C=CCC=C1.
What is the InChIKey of methyl 2-(4H-pyridin-1-yl)acetate?
The InChIKey is DOQAKFPVYJCEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-11-8(10)7-9-5-3-2-4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of methyl 2-(4H-pyridin-1-yl)acetate?
methyl 2-(4H-pyridin-1-yl)acetate has a molecular weight of 153.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4H-pyridin-1-yl)acetate is sourced from PubChem (CID 68875683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).