2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid

C14H10F3NO3 — CID 133091997

IUPAC2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1[nH]c(=O)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-4-2-1-3-8(10)9-5-6-12(19)18-11(9)7-13(20)21/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyOMXDRSYUFBKKLE-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.69
Rot. Bonds3

About 2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid

2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid (PubChem CID 133091997) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
PubChem CID133091997
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1[nH]c(=O)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-4-2-1-3-8(10)9-5-6-12(19)18-11(9)7-13(20)21/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyOMXDRSYUFBKKLE-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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Related Compounds

2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
CID 133091981
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-[4-(bromomethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 174684622
2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134630938
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865
6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091890
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 162318731
2-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
CID 118704083
2-[6-chloro-5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 119022927
2-oxo-5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroimidazole-4-carboxylic acid
CID 117224657
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081827

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid (CID 133091997) is 2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid is O=C(O)Cc1[nH]c(=O)ccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid?
The InChIKey is OMXDRSYUFBKKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)10-4-2-1-3-8(10)9-5-6-12(19)18-11(9)7-13(20)21/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid?
2-[6-oxo-3-[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-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid is sourced from PubChem (CID 133091997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).