ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate

C10H12FNO3 — CID 134955287

IUPACethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)[C@H](F)[C@@H](O)c1cccnc1
InChIInChI=1S/C10H12FNO3/c1-2-15-10(14)8(11)9(13)7-4-3-5-12-6-7/h3-6,8-9,13H,2H2,1H3/t8-,9+/m1/s1
InChIKeyWQTYAHVCEJEKSU-BDAKNGLRSA-N
MW213.21 g/mol
LogP1.02
Rot. Bonds4

About ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate

ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate (PubChem CID 134955287) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate
PubChem CID134955287
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Nameethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)[C@H](F)[C@@H](O)c1cccnc1
InChIInChI=1S/C10H12FNO3/c1-2-15-10(14)8(11)9(13)7-4-3-5-12-6-7/h3-6,8-9,13H,2H2,1H3/t8-,9+/m1/s1
InChIKeyWQTYAHVCEJEKSU-BDAKNGLRSA-N
XLogP1.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate?
The IUPAC name of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate (CID 134955287) is ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate is CCOC(=O)[C@H](F)[C@@H](O)c1cccnc1.
What is the InChIKey of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate?
The InChIKey is WQTYAHVCEJEKSU-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-2-15-10(14)8(11)9(13)7-4-3-5-12-6-7/h3-6,8-9,13H,2H2,1H3/t8-,9+/m1/s1.
What are the key properties of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate?
ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate has a molecular weight of 213.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 134955287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).