2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid

C14H10F3NO4 — CID 133091653

IUPAC2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
SMILESO=C(O)Cc1cc[nH]c(=O)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-10-3-1-2-8(6-10)12-9(7-11(19)20)4-5-18-13(12)21/h1-6H,7H2,(H,18,21)(H,19,20)
InChIKeyCOBKAMSQSBUPNR-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.57
Rot. Bonds4

About 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid

2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid (PubChem CID 133091653) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
PubChem CID133091653
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
SMILESO=C(O)Cc1cc[nH]c(=O)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-10-3-1-2-8(6-10)12-9(7-11(19)20)4-5-18-13(12)21/h1-6H,7H2,(H,18,21)(H,19,20)
InChIKeyCOBKAMSQSBUPNR-UHFFFAOYSA-N
XLogP2.57
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-3-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091656
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 172650218
2-[2-fluoro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 133089276
2-[2-chloro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 119017945
2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 134631215
5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091674
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724
2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118808116
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid (CID 133091653) is 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid is O=C(O)Cc1cc[nH]c(=O)c1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid?
The InChIKey is COBKAMSQSBUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c15-14(16,17)22-10-3-1-2-8(6-10)12-9(7-11(19)20)4-5-18-13(12)21/h1-6H,7H2,(H,18,21)(H,19,20).
What are the key properties of 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid?
2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid has a molecular weight of 313.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid is sourced from PubChem (CID 133091653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).