2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid

C8H6F3NO3 — CID 131472860

IUPAC2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)6-2-5(13)4(3-12-6)1-7(14)15/h2-3H,1H2,(H,12,13)(H,14,15)
InChIKeyITNFYXMGHQGBSA-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.02
Rot. Bonds2

About 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid

2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid (PubChem CID 131472860) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
PubChem CID131472860
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)6-2-5(13)4(3-12-6)1-7(14)15/h2-3H,1H2,(H,12,13)(H,14,15)
InChIKeyITNFYXMGHQGBSA-UHFFFAOYSA-N
XLogP1.02
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
CID 84664445
[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]boronic acid
CID 91882855
2-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
CID 118704083
2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
CID 174603225
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136758159
2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118823198
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 126766047
2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 134665312
2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
CID 82622241
2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 134663224
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948
2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 133101825

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid (CID 131472860) is 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1c[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid?
The InChIKey is ITNFYXMGHQGBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)6-2-5(13)4(3-12-6)1-7(14)15/h2-3H,1H2,(H,12,13)(H,14,15).
What are the key properties of 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid?
2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid has a molecular weight of 221.13 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 131472860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).