2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid

C14H10F3NO3 — CID 133091981

IUPAC2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-4-2-1-3-9(11)10-6-5-8(7-12(19)20)18-13(10)21/h1-6H,7H2,(H,18,21)(H,19,20)
InChIKeySGNQAXYGWHOBJZ-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.69
Rot. Bonds3

About 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid

2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid (PubChem CID 133091981) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
PubChem CID133091981
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-4-2-1-3-9(11)10-6-5-8(7-12(19)20)18-13(10)21/h1-6H,7H2,(H,18,21)(H,19,20)
InChIKeySGNQAXYGWHOBJZ-UHFFFAOYSA-N
XLogP2.69
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid (CID 133091981) is 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid is O=C(O)Cc1ccc(-c2ccccc2C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid?
The InChIKey is SGNQAXYGWHOBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)11-4-2-1-3-9(11)10-6-5-8(7-12(19)20)18-13(10)21/h1-6H,7H2,(H,18,21)(H,19,20).
What are the key properties of 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid?
2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid has a molecular weight of 297.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid is sourced from PubChem (CID 133091981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).