ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate

C11H12F3NO4 — CID 171866505

IUPACethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3NO4/c1-2-19-10(18)9(17)8(16)7-4-3-6(5-15-7)11(12,13)14/h3-5,8-9,16-17H,2H2,1H3
InChIKeyWFLIEQOTKDNHNB-UHFFFAOYSA-N
MW279.21 g/mol
LogP1.06
Rot. Bonds4

About ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate

ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate (PubChem CID 171866505) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
PubChem CID171866505
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Nameethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3NO4/c1-2-19-10(18)9(17)8(16)7-4-3-6(5-15-7)11(12,13)14/h3-5,8-9,16-17H,2H2,1H3
InChIKeyWFLIEQOTKDNHNB-UHFFFAOYSA-N
XLogP1.06
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171864461
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
CID 171865893
3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 171878081
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 61498811
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
ethyl 2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate
CID 71556670
3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
CID 105176912
ethyl 2,3-dihydroxy-3-[2-(trifluoromethyl)phenyl]propanoate
CID 171866347
ethyl 3-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171866757
ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102436674

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate (CID 171866505) is ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate is CCOC(=O)C(O)C(O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
The InChIKey is WFLIEQOTKDNHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c1-2-19-10(18)9(17)8(16)7-4-3-6(5-15-7)11(12,13)14/h3-5,8-9,16-17H,2H2,1H3.
What are the key properties of ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate has a molecular weight of 279.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate is sourced from PubChem (CID 171866505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).