(2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid

C9H8F3NO3 — CID 102267043

IUPAC(2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESC[C@H](C(=O)O)n1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C9H8F3NO3/c1-5(8(15)16)13-4-2-3-6(7(13)14)9(10,11)12/h2-5H,1H3,(H,15,16)/t5-/m1/s1
InChIKeyXHABGVGLRIHZSE-RXMQYKEDSA-N
MW235.16 g/mol
LogP1.51
Rot. Bonds2

About (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid

(2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid (PubChem CID 102267043) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid
PubChem CID102267043
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name(2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESC[C@H](C(=O)O)n1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C9H8F3NO3/c1-5(8(15)16)13-4-2-3-6(7(13)14)9(10,11)12/h2-5H,1H3,(H,15,16)/t5-/m1/s1
InChIKeyXHABGVGLRIHZSE-RXMQYKEDSA-N
XLogP1.51
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The IUPAC name of (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid (CID 102267043) is (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid.
What is the SMILES notation for (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The canonical SMILES for (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid is C[C@H](C(=O)O)n1cccc(C(F)(F)F)c1=O.
What is the InChIKey of (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The InChIKey is XHABGVGLRIHZSE-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5(8(15)16)13-4-2-3-6(7(13)14)9(10,11)12/h2-5H,1H3,(H,15,16)/t5-/m1/s1.
What are the key properties of (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid?
(2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid has a molecular weight of 235.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 102267043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).