methyl 2-pyridin-4-ylpropanoate

C9H11NO2 — CID 13122749

IUPACmethyl 2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C)c1ccncc1
InChIInChI=1S/C9H11NO2/c1-7(9(11)12-2)8-3-5-10-6-4-8/h3-7H,1-2H3
InChIKeyVSXNIZYHQLWKTA-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-pyridin-4-ylpropanoate

methyl 2-pyridin-4-ylpropanoate (PubChem CID 13122749) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-pyridin-4-ylpropanoate
PubChem CID13122749
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C)c1ccncc1
InChIInChI=1S/C9H11NO2/c1-7(9(11)12-2)8-3-5-10-6-4-8/h3-7H,1-2H3
InChIKeyVSXNIZYHQLWKTA-UHFFFAOYSA-N
XLogP1.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-4-ylpropanoate?
The IUPAC name of methyl 2-pyridin-4-ylpropanoate (CID 13122749) is methyl 2-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 2-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 2-pyridin-4-ylpropanoate is COC(=O)C(C)c1ccncc1.
What is the InChIKey of methyl 2-pyridin-4-ylpropanoate?
The InChIKey is VSXNIZYHQLWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(9(11)12-2)8-3-5-10-6-4-8/h3-7H,1-2H3.
What are the key properties of methyl 2-pyridin-4-ylpropanoate?
methyl 2-pyridin-4-ylpropanoate has a molecular weight of 165.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-4-ylpropanoate is sourced from PubChem (CID 13122749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).