methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate

C9H8F3NO3 — CID 133097179

IUPACmethyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)(F)F)ncc1O
InChIInChI=1S/C9H8F3NO3/c1-16-8(15)3-5-2-7(9(10,11)12)13-4-6(5)14/h2,4,14H,3H2,1H3
InChIKeyAWTNGXLIGGEPFB-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.52
Rot. Bonds2

About methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate

methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate (PubChem CID 133097179) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate
PubChem CID133097179
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Namemethyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)(F)F)ncc1O
InChIInChI=1S/C9H8F3NO3/c1-16-8(15)3-5-2-7(9(10,11)12)13-4-6(5)14/h2,4,14H,3H2,1H3
InChIKeyAWTNGXLIGGEPFB-UHFFFAOYSA-N
XLogP1.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131472859
methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097692
methyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097930
methyl 2-[5-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097366
methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097191
ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 118168634
ethyl 2-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097921
methyl 2-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097135
methyl 2-[2-bromo-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097925
methyl 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]acetate
CID 126645382
ethyl 2-[4-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096696
methyl 2-[5-hydroxy-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659697

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate (CID 133097179) is methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate is COC(=O)Cc1cc(C(F)(F)F)ncc1O.
What is the InChIKey of methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate?
The InChIKey is AWTNGXLIGGEPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-16-8(15)3-5-2-7(9(10,11)12)13-4-6(5)14/h2,4,14H,3H2,1H3.
What are the key properties of methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate?
methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate has a molecular weight of 235.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 133097179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).