2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid

C8H6F3NO3 — CID 131472859

IUPAC2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)ncc1O
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)6-1-4(2-7(14)15)5(13)3-12-6/h1,3,13H,2H2,(H,14,15)
InChIKeySQPDBIKPZZKPKO-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.43
Rot. Bonds2

About 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid

2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 131472859) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID131472859
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)ncc1O
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)6-1-4(2-7(14)15)5(13)3-12-6/h1,3,13H,2H2,(H,14,15)
InChIKeySQPDBIKPZZKPKO-UHFFFAOYSA-N
XLogP1.43
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097179
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
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-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097692
5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 91882810
methyl 2-[5-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097366
methyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097930
acetic acid;6-(trifluoromethyl)pyridin-3-ol
CID 162333498
ethyl 2-[4-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096696
2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 131611737
2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid
CID 133094666

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 131472859) is 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)(F)F)ncc1O.
What is the InChIKey of 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is SQPDBIKPZZKPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)6-1-4(2-7(14)15)5(13)3-12-6/h1,3,13H,2H2,(H,14,15).
What are the key properties of 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 221.13 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 131472859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).