ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate

C10H11F2NO3 — CID 14249551

IUPACethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(F)(F)C(O)c1ccccn1
InChIInChI=1S/C10H11F2NO3/c1-2-16-9(15)10(11,12)8(14)7-5-3-4-6-13-7/h3-6,8,14H,2H2,1H3
InChIKeyYNQJYYXTYCMVQM-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.31
Rot. Bonds4

About ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate

ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate (PubChem CID 14249551) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate
PubChem CID14249551
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Nameethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(F)(F)C(O)c1ccccn1
InChIInChI=1S/C10H11F2NO3/c1-2-16-9(15)10(11,12)8(14)7-5-3-4-6-13-7/h3-6,8,14H,2H2,1H3
InChIKeyYNQJYYXTYCMVQM-UHFFFAOYSA-N
XLogP1.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate (CID 14249551) is ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate is CCOC(=O)C(F)(F)C(O)c1ccccn1.
What is the InChIKey of ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate?
The InChIKey is YNQJYYXTYCMVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-2-16-9(15)10(11,12)8(14)7-5-3-4-6-13-7/h3-6,8,14H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate?
ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate has a molecular weight of 231.20 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-hydroxy-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 14249551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).