2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid

C16H11F3N2O3 — CID 158586532

IUPAC2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(-c2cc(C(F)(F)F)cc3c2C=NC3)ccc1=O
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)11-3-10-5-20-6-13(10)12(4-11)9-1-2-14(22)21(7-9)8-15(23)24/h1-4,6-7H,5,8H2,(H,23,24)
InChIKeyHTWXCRRXESVSCY-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.55
Rot. Bonds3

About 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid

2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid (PubChem CID 158586532) has the molecular formula C16H11F3N2O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid
PubChem CID158586532
Molecular FormulaC16H11F3N2O3
Molecular Weight336.27 g/mol
Exact Mass336.07
IUPAC Name2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(-c2cc(C(F)(F)F)cc3c2C=NC3)ccc1=O
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)11-3-10-5-20-6-13(10)12(4-11)9-1-2-14(22)21(7-9)8-15(23)24/h1-4,6-7H,5,8H2,(H,23,24)
InChIKeyHTWXCRRXESVSCY-UHFFFAOYSA-N
XLogP2.55
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid (CID 158586532) is 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid is O=C(O)Cn1cc(-c2cc(C(F)(F)F)cc3c2C=NC3)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid?
The InChIKey is HTWXCRRXESVSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3/c17-16(18,19)11-3-10-5-20-6-13(10)12(4-11)9-1-2-14(22)21(7-9)8-15(23)24/h1-4,6-7H,5,8H2,(H,23,24).
What are the key properties of 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid?
2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid has a molecular weight of 336.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid is sourced from PubChem (CID 158586532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).