ethyl 2-(2H-pyridin-1-yl)propanoate

C10H15NO2 — CID 152688997

IUPACethyl 2-(2H-pyridin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1C=CC=CC1
InChIInChI=1S/C10H15NO2/c1-3-13-10(12)9(2)11-7-5-4-6-8-11/h4-7,9H,3,8H2,1-2H3
InChIKeyZPEHWAZXSGALOS-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.32
Rot. Bonds3

About ethyl 2-(2H-pyridin-1-yl)propanoate

ethyl 2-(2H-pyridin-1-yl)propanoate (PubChem CID 152688997) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 2-(2H-pyridin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2H-pyridin-1-yl)propanoate
PubChem CID152688997
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 2-(2H-pyridin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1C=CC=CC1
InChIInChI=1S/C10H15NO2/c1-3-13-10(12)9(2)11-7-5-4-6-8-11/h4-7,9H,3,8H2,1-2H3
InChIKeyZPEHWAZXSGALOS-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2H-pyridin-1-yl)propanoate?
The IUPAC name of ethyl 2-(2H-pyridin-1-yl)propanoate (CID 152688997) is ethyl 2-(2H-pyridin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(2H-pyridin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(2H-pyridin-1-yl)propanoate is CCOC(=O)C(C)N1C=CC=CC1.
What is the InChIKey of ethyl 2-(2H-pyridin-1-yl)propanoate?
The InChIKey is ZPEHWAZXSGALOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-13-10(12)9(2)11-7-5-4-6-8-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(2H-pyridin-1-yl)propanoate?
ethyl 2-(2H-pyridin-1-yl)propanoate has a molecular weight of 181.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2H-pyridin-1-yl)propanoate is sourced from PubChem (CID 152688997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).