3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

C8H6F3NO4 — CID 19960297

IUPAC3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nccc(OCC(F)(F)F)c1O
InChIInChI=1S/C8H6F3NO4/c9-8(10,11)3-16-4-1-2-12-5(6(4)13)7(14)15/h1-2,13H,3H2,(H,14,15)
InChIKeyLLDPVIAVBWKEBE-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.43
Rot. Bonds3

About 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 19960297) has the molecular formula C8H6F3NO4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
PubChem CID19960297
Molecular FormulaC8H6F3NO4
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC Name3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nccc(OCC(F)(F)F)c1O
InChIInChI=1S/C8H6F3NO4/c9-8(10,11)3-16-4-1-2-12-5(6(4)13)7(14)15/h1-2,13H,3H2,(H,14,15)
InChIKeyLLDPVIAVBWKEBE-UHFFFAOYSA-N
XLogP1.43
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 154005807
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid
CID 19960346
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CID 21493157
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089873
3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923731
4-bromo-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 59581703
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
CID 11229760
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]boronic acid
CID 131699870
4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118817826

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (CID 19960297) is 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is O=C(O)c1nccc(OCC(F)(F)F)c1O.
What is the InChIKey of 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is LLDPVIAVBWKEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO4/c9-8(10,11)3-16-4-1-2-12-5(6(4)13)7(14)15/h1-2,13H,3H2,(H,14,15).
What are the key properties of 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid has a molecular weight of 237.13 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 19960297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).