6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid

C8H6F3NO3 — CID 86277098

IUPAC6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1CC(F)(F)F
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)4-12-5(7(14)15)2-1-3-6(12)13/h1-3H,4H2,(H,14,15)
InChIKeyYPTMUSIOZIZXCC-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.11
Rot. Bonds2

About 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid

6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid (PubChem CID 86277098) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid
PubChem CID86277098
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1CC(F)(F)F
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)4-12-5(7(14)15)2-1-3-6(12)13/h1-3H,4H2,(H,14,15)
InChIKeyYPTMUSIOZIZXCC-UHFFFAOYSA-N
XLogP1.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid
CID 12286524
Pyridine-1,6-dicarboxylic
CID 54265333
1-(1,1-difluoro-2-methylpropyl)-2H-pyridine-6-carboxylic acid
CID 69462511
2-[2-Oxo-6-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 81319986
1-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-2-carboxylic acid
CID 118693982
1-(difluoromethyl)-2H-pyridine-6-carboxylic acid
CID 118693997
Methyl 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylate
CID 118860310
1-Methyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497669
6-Oxo-1-prop-2-enyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497862
2-[6-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458848
2-Fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid
CID 81297756
2-Fluoro-2-(2-oxo-1-pyridinyl)acetic acid
CID 81298694

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid (CID 86277098) is 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(=O)n1CC(F)(F)F.
What is the InChIKey of 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid?
The InChIKey is YPTMUSIOZIZXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)4-12-5(7(14)15)2-1-3-6(12)13/h1-3H,4H2,(H,14,15).
What are the key properties of 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid?
6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid has a molecular weight of 221.13 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 86277098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).