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

C9H11FN2O3 — CID 135080474

IUPACethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate
SMILESCCOC(=O)[C@H](F)[C@@H](O)c1cnccn1
InChIInChI=1S/C9H11FN2O3/c1-2-15-9(14)7(10)8(13)6-5-11-3-4-12-6/h3-5,7-8,13H,2H2,1H3/t7-,8+/m1/s1
InChIKeyKWYOLYPLURDNRI-SFYZADRCSA-N
MW214.20 g/mol
LogP0.41
Rot. Bonds4

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

ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate (PubChem CID 135080474) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate
PubChem CID135080474
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Nameethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate
SMILESCCOC(=O)[C@H](F)[C@@H](O)c1cnccn1
InChIInChI=1S/C9H11FN2O3/c1-2-15-9(14)7(10)8(13)6-5-11-3-4-12-6/h3-5,7-8,13H,2H2,1H3/t7-,8+/m1/s1
InChIKeyKWYOLYPLURDNRI-SFYZADRCSA-N
XLogP0.41
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl (2E)-2-hydroxyimino-3-pyrazin-2-YL-propanoate
CID 6399577
Ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate
CID 122508295
Ethyl 2,2-difluoro-3-hydroxy-3-pyrazin-2-ylbutanoate
CID 64190732
2,2-Difluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid
CID 64190946
2-Fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid
CID 79366271
Ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate
CID 79366924
3-(2,2-Difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol
CID 103147800
Ethyl 2-fluoro-3-hydroxy-3-(3-methylpyrazin-2-yl)butanoate
CID 108426839
2-(1-Hydroxy-1-pyrazin-2-ylethyl)-3-methylpentanoic acid
CID 19876549
3-Pyrazin-2-yl-propionic acid ethyl ester
CID 20213274
Ethyl 2-(1-hydroxy-1-pyrazin-2-ylethyl)-3-methylpentanoate
CID 20441864
4-Hydroxy-2-(hydroxymethyl)-2-methyl-4-pyrazin-2-ylbutanoic acid
CID 23461968

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate?
The IUPAC name of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate (CID 135080474) is ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate.
What is the SMILES notation for ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate?
The canonical SMILES for ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate is CCOC(=O)[C@H](F)[C@@H](O)c1cnccn1.
What is the InChIKey of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate?
The InChIKey is KWYOLYPLURDNRI-SFYZADRCSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-2-15-9(14)7(10)8(13)6-5-11-3-4-12-6/h3-5,7-8,13H,2H2,1H3/t7-,8+/m1/s1.
What are the key properties of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate?
ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate has a molecular weight of 214.20 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyrazin-2-ylpropanoate is sourced from PubChem (CID 135080474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).