6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid

C8H3F6NO4 — CID 134659825

IUPAC6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)c(OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H3F6NO4/c9-7(10,11)2-1-3(6(17)18)15-5(16)4(2)19-8(12,13)14/h1H,(H,15,16)(H,17,18)
InChIKeyOVCUEZLUHVOJGU-UHFFFAOYSA-N
MW291.10 g/mol
LogP1.99
Rot. Bonds2

About 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid

6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (PubChem CID 134659825) has the molecular formula C8H3F6NO4 and a molecular weight of 291.10 g/mol. Its IUPAC name is 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
PubChem CID134659825
Molecular FormulaC8H3F6NO4
Molecular Weight291.10 g/mol
Exact Mass291.00
IUPAC Name6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)c(OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H3F6NO4/c9-7(10,11)2-1-3(6(17)18)15-5(16)4(2)19-8(12,13)14/h1H,(H,15,16)(H,17,18)
InChIKeyOVCUEZLUHVOJGU-UHFFFAOYSA-N
XLogP1.99
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134658717
3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134677601
6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 22508913
3,5-difluoro-4-(trifluoromethoxy)benzoic acid
CID 56973642
methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 134667295
2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 134663224
CID 146840166
CID 146840166
6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 133087830
7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 125457533
4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 171137802
4-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 135004712
4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 118835212

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (CID 134659825) is 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is O=C(O)c1cc(C(F)(F)F)c(OC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The InChIKey is OVCUEZLUHVOJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO4/c9-7(10,11)2-1-3(6(17)18)15-5(16)4(2)19-8(12,13)14/h1H,(H,15,16)(H,17,18).
What are the key properties of 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid has a molecular weight of 291.10 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 134659825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).