ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride

C9H12ClNO3 — CID 50988243

IUPACethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
SMILESCCOC(=O)C(O)c1cccnc1.Cl
InChIInChI=1S/C9H11NO3.ClH/c1-2-13-9(12)8(11)7-4-3-5-10-6-7;/h3-6,8,11H,2H2,1H3;1H
InChIKeyYXYOSKWPMUPSRO-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.10
Rot. Bonds3

About ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride

ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride (PubChem CID 50988243) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
PubChem CID50988243
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Nameethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
SMILESCCOC(=O)C(O)c1cccnc1.Cl
InChIInChI=1S/C9H11NO3.ClH/c1-2-13-9(12)8(11)7-4-3-5-10-6-7;/h3-6,8,11H,2H2,1H3;1H
InChIKeyYXYOSKWPMUPSRO-UHFFFAOYSA-N
XLogP1.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride?
The IUPAC name of ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride (CID 50988243) is ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride?
The canonical SMILES for ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride is CCOC(=O)C(O)c1cccnc1.Cl.
What is the InChIKey of ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride?
The InChIKey is YXYOSKWPMUPSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.ClH/c1-2-13-9(12)8(11)7-4-3-5-10-6-7;/h3-6,8,11H,2H2,1H3;1H.
What are the key properties of ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride?
ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride has a molecular weight of 217.65 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride is sourced from PubChem (CID 50988243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).