2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid

C9H5F6NO3 — CID 142458865

IUPAC2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)(F)F)cc(C(F)(F)F)c1=O
InChIInChI=1S/C9H5F6NO3/c10-8(11,12)4-1-5(9(13,14)15)7(19)16(2-4)3-6(17)18/h1-2H,3H2,(H,17,18)
InChIKeyUWBASEFTBJJIOZ-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.97
Rot. Bonds2

About 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid

2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 142458865) has the molecular formula C9H5F6NO3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID142458865
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)(F)F)cc(C(F)(F)F)c1=O
InChIInChI=1S/C9H5F6NO3/c10-8(11,12)4-1-5(9(13,14)15)7(19)16(2-4)3-6(17)18/h1-2H,3H2,(H,17,18)
InChIKeyUWBASEFTBJJIOZ-UHFFFAOYSA-N
XLogP1.97
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 1096408
2-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetic acid
CID 2463145
2-[2-Oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetic acid
CID 17535105
3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanoic acid
CID 2737090
2-[5-Bromo-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 129899567
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 3611941
2-[(5-Fluoro-3-methylcyclohexa-1,5-diene-1-carbonyl)-methylamino]acetic acid
CID 89688677
2-[2-Oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 118301547
2-[5-(Difluoromethyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid
CID 122240432
2-[2-Oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 132372717
2-[3-Carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 135362591

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid (CID 142458865) is 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid is O=C(O)Cn1cc(C(F)(F)F)cc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is UWBASEFTBJJIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c10-8(11,12)4-1-5(9(13,14)15)7(19)16(2-4)3-6(17)18/h1-2H,3H2,(H,17,18).
What are the key properties of 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 289.13 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3,5-bis(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 142458865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).