3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid

C8H6F3NO4 — CID 130112262

IUPAC3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESCc1nc(OC(F)(F)F)cc(C(=O)O)c1O
InChIInChI=1S/C8H6F3NO4/c1-3-6(13)4(7(14)15)2-5(12-3)16-8(9,10)11/h2,13H,1H3,(H,14,15)
InChIKeyJDHJXXSGPFFXLK-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.69
Rot. Bonds2

About 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid

3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 130112262) has the molecular formula C8H6F3NO4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID130112262
Molecular FormulaC8H6F3NO4
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC Name3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESCc1nc(OC(F)(F)F)cc(C(=O)O)c1O
InChIInChI=1S/C8H6F3NO4/c1-3-6(13)4(7(14)15)2-5(12-3)16-8(9,10)11/h2,13H,1H3,(H,14,15)
InChIKeyJDHJXXSGPFFXLK-UHFFFAOYSA-N
XLogP1.69
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134677673
2-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118815703
2-fluoro-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134664924
2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119013647
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
2-iodo-3-nitro-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134678317
2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 130112096
3-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134665192
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490
6-(bromomethyl)-3-hydroxy-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134665868
ethyl 2-[3-iodo-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659970
3-fluoro-2-methyl-6-(trifluoromethoxy)pyridin-4-amine
CID 118806561

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 130112262) is 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid is Cc1nc(OC(F)(F)F)cc(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is JDHJXXSGPFFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO4/c1-3-6(13)4(7(14)15)2-5(12-3)16-8(9,10)11/h2,13H,1H3,(H,14,15).
What are the key properties of 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid has a molecular weight of 237.13 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 130112262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).