2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid

C10H10F3NO3 — CID 114992470

IUPAC2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCC(OCC(F)(F)F)(C(=O)O)c1cccnc1
InChIInChI=1S/C10H10F3NO3/c1-9(8(15)16,17-6-10(11,12)13)7-3-2-4-14-5-7/h2-5H,6H2,1H3,(H,15,16)
InChIKeyJVPZUNSVKNZOKB-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.96
Rot. Bonds4

About 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid

2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid (PubChem CID 114992470) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
PubChem CID114992470
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCC(OCC(F)(F)F)(C(=O)O)c1cccnc1
InChIInChI=1S/C10H10F3NO3/c1-9(8(15)16,17-6-10(11,12)13)7-3-2-4-14-5-7/h2-5H,6H2,1H3,(H,15,16)
InChIKeyJVPZUNSVKNZOKB-UHFFFAOYSA-N
XLogP1.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid?
The IUPAC name of 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid (CID 114992470) is 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid.
What is the SMILES notation for 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid?
The canonical SMILES for 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid is CC(OCC(F)(F)F)(C(=O)O)c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid?
The InChIKey is JVPZUNSVKNZOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-9(8(15)16,17-6-10(11,12)13)7-3-2-4-14-5-7/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid?
2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid has a molecular weight of 249.19 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid is sourced from PubChem (CID 114992470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).