ethyl 3-hydroxy-3-pyridin-3-ylpropanoate

C10H13NO3 — CID 10465246

IUPACethyl 3-hydroxy-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)CC(O)c1cccnc1
InChIInChI=1S/C10H13NO3/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8/h3-5,7,9,12H,2,6H2,1H3
InChIKeyYHUNNSMSEATGJD-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.07
Rot. Bonds4

About ethyl 3-hydroxy-3-pyridin-3-ylpropanoate

ethyl 3-hydroxy-3-pyridin-3-ylpropanoate (PubChem CID 10465246) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-pyridin-3-ylpropanoate
PubChem CID10465246
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 3-hydroxy-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)CC(O)c1cccnc1
InChIInChI=1S/C10H13NO3/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8/h3-5,7,9,12H,2,6H2,1H3
InChIKeyYHUNNSMSEATGJD-UHFFFAOYSA-N
XLogP1.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-pyridin-3-ylpropanoate?
The IUPAC name of ethyl 3-hydroxy-3-pyridin-3-ylpropanoate (CID 10465246) is ethyl 3-hydroxy-3-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl 3-hydroxy-3-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl 3-hydroxy-3-pyridin-3-ylpropanoate is CCOC(=O)CC(O)c1cccnc1.
What is the InChIKey of ethyl 3-hydroxy-3-pyridin-3-ylpropanoate?
The InChIKey is YHUNNSMSEATGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8/h3-5,7,9,12H,2,6H2,1H3.
What are the key properties of ethyl 3-hydroxy-3-pyridin-3-ylpropanoate?
ethyl 3-hydroxy-3-pyridin-3-ylpropanoate has a molecular weight of 195.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 10465246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).