2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid

C9H5F6NO3 — CID 118830529

IUPAC2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C9H5F6NO3/c10-8(11,12)3-1-2-4(5(17)7(18)19)16-6(3)9(13,14)15/h1-2,5,17H,(H,18,19)
InChIKeyRXIXEVOKEZFING-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.24
Rot. Bonds2

About 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid

2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid (PubChem CID 118830529) has the molecular formula C9H5F6NO3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
PubChem CID118830529
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C9H5F6NO3/c10-8(11,12)3-1-2-4(5(17)7(18)19)16-6(3)9(13,14)15/h1-2,5,17H,(H,18,19)
InChIKeyRXIXEVOKEZFING-UHFFFAOYSA-N
XLogP2.24
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658062
2-[2,3-dihydroxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383098
2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655874
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655848
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 46313392
2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118997873
2-[4,5-dihydroxy-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383096
2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134639181
2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid
CID 117062646

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid (CID 118830529) is 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(C(F)(F)F)c(C(F)(F)F)n1.
What is the InChIKey of 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid?
The InChIKey is RXIXEVOKEZFING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c10-8(11,12)3-1-2-4(5(17)7(18)19)16-6(3)9(13,14)15/h1-2,5,17H,(H,18,19).
What are the key properties of 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid?
2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid has a molecular weight of 289.13 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118830529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).