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

C10H10F3NO4 — CID 171864461

IUPACmethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
SMILESCOC(=O)C(O)C(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO4/c1-18-9(17)8(16)7(15)6-3-2-5(4-14-6)10(11,12)13/h2-4,7-8,15-16H,1H3
InChIKeyKASYTYJUCGOJLP-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.67
Rot. Bonds3

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

methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate (PubChem CID 171864461) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
PubChem CID171864461
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Namemethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
SMILESCOC(=O)C(O)C(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO4/c1-18-9(17)8(16)7(15)6-3-2-5(4-14-6)10(11,12)13/h2-4,7-8,15-16H,1H3
InChIKeyKASYTYJUCGOJLP-UHFFFAOYSA-N
XLogP0.67
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534
methyl 3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171864714
3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 171878081
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
methyl 3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171864579
methyl 3-[2-bromo-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171865308
N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 177429162
methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate
CID 83128638
benzyl N-[3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butyl]carbamate
CID 171888831
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate (CID 171864461) is methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate is COC(=O)C(O)C(O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
The InChIKey is KASYTYJUCGOJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-18-9(17)8(16)7(15)6-3-2-5(4-14-6)10(11,12)13/h2-4,7-8,15-16H,1H3.
What are the key properties of methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate has a molecular weight of 265.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate is sourced from PubChem (CID 171864461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).