2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid

C13H7F3N2O3S — CID 56688107

IUPAC2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
SMILESN#Cc1c(-c2cccs2)cc(C(F)(F)F)nc1OCC(=O)O
InChIInChI=1S/C13H7F3N2O3S/c14-13(15,16)10-4-7(9-2-1-3-22-9)8(5-17)12(18-10)21-6-11(19)20/h1-4H,6H2,(H,19,20)
InChIKeyOMUOTTZXOLQGEM-UHFFFAOYSA-N
MW328.27 g/mol
LogP3.16
Rot. Bonds4

About 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid

2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid (PubChem CID 56688107) has the molecular formula C13H7F3N2O3S and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
PubChem CID56688107
Molecular FormulaC13H7F3N2O3S
Molecular Weight328.27 g/mol
Exact Mass328.01
IUPAC Name2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
SMILESN#Cc1c(-c2cccs2)cc(C(F)(F)F)nc1OCC(=O)O
InChIInChI=1S/C13H7F3N2O3S/c14-13(15,16)10-4-7(9-2-1-3-22-9)8(5-17)12(18-10)21-6-11(19)20/h1-4H,6H2,(H,19,20)
InChIKeyOMUOTTZXOLQGEM-UHFFFAOYSA-N
XLogP3.16
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid (CID 56688107) is 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid is N#Cc1c(-c2cccs2)cc(C(F)(F)F)nc1OCC(=O)O.
What is the InChIKey of 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The InChIKey is OMUOTTZXOLQGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O3S/c14-13(15,16)10-4-7(9-2-1-3-22-9)8(5-17)12(18-10)21-6-11(19)20/h1-4H,6H2,(H,19,20).
What are the key properties of 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid has a molecular weight of 328.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 56688107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).