2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid

C9H5F6NO3 — CID 133094666

IUPAC2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(C(F)(F)F)ncc1C(F)(F)F
InChIInChI=1S/C9H5F6NO3/c10-8(11,12)4-2-16-5(9(13,14)15)1-3(4)6(17)7(18)19/h1-2,6,17H,(H,18,19)
InChIKeyPMDIAKCBYKFZGJ-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.24
Rot. Bonds2

About 2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid

2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid (PubChem CID 133094666) has the molecular formula C9H5F6NO3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid
PubChem CID133094666
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(C(F)(F)F)ncc1C(F)(F)F
InChIInChI=1S/C9H5F6NO3/c10-8(11,12)4-2-16-5(9(13,14)15)1-3(4)6(17)7(18)19/h1-2,6,17H,(H,18,19)
InChIKeyPMDIAKCBYKFZGJ-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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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid (CID 133094666) is 2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(C(F)(F)F)ncc1C(F)(F)F.
What is the InChIKey of 2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid?
The InChIKey is PMDIAKCBYKFZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c10-8(11,12)4-2-16-5(9(13,14)15)1-3(4)6(17)7(18)19/h1-2,6,17H,(H,18,19).
What are the key properties of 2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid?
2-[2,5-bis(trifluoromethyl)-4-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-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid is sourced from PubChem (CID 133094666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).