methyl 3-pyridin-4-ylpropanoate

C9H11NO2 — CID 3704115

IUPACmethyl 3-pyridin-4-ylpropanoate
SMILESCOC(=O)CCc1ccncc1
InChIInChI=1S/C9H11NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h4-7H,2-3H2,1H3
InChIKeyJAIXBISQDJNKFO-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.19
Rot. Bonds3

About methyl 3-pyridin-4-ylpropanoate

methyl 3-pyridin-4-ylpropanoate (PubChem CID 3704115) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-pyridin-4-ylpropanoate
PubChem CID3704115
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 3-pyridin-4-ylpropanoate
SMILESCOC(=O)CCc1ccncc1
InChIInChI=1S/C9H11NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h4-7H,2-3H2,1H3
InChIKeyJAIXBISQDJNKFO-UHFFFAOYSA-N
XLogP1.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-pyridin-4-ylpropoxy)propanoate
CID 29006354
methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 112729455
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-pyrimidin-5-ylpropanoate
CID 18470121
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 170989297
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
methyl 4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]butanoate
CID 61460661
methyl 3-(4-formylphenyl)propanoate
CID 11063253

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-4-ylpropanoate?
The IUPAC name of methyl 3-pyridin-4-ylpropanoate (CID 3704115) is methyl 3-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 3-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 3-pyridin-4-ylpropanoate is COC(=O)CCc1ccncc1.
What is the InChIKey of methyl 3-pyridin-4-ylpropanoate?
The InChIKey is JAIXBISQDJNKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h4-7H,2-3H2,1H3.
What are the key properties of methyl 3-pyridin-4-ylpropanoate?
methyl 3-pyridin-4-ylpropanoate has a molecular weight of 165.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-4-ylpropanoate is sourced from PubChem (CID 3704115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).