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

C8H6F3NO5 — CID 134677673

IUPAC3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESCOc1nc(OC(F)(F)F)cc(C(=O)O)c1O
InChIInChI=1S/C8H6F3NO5/c1-16-6-5(13)3(7(14)15)2-4(12-6)17-8(9,10)11/h2,13H,1H3,(H,14,15)
InChIKeyXABIRJXQYWLVBJ-UHFFFAOYSA-N
MW253.13 g/mol
LogP1.39
Rot. Bonds3

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

3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 134677673) has the molecular formula C8H6F3NO5 and a molecular weight of 253.13 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID134677673
Molecular FormulaC8H6F3NO5
Molecular Weight253.13 g/mol
Exact Mass253.02
IUPAC Name3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESCOc1nc(OC(F)(F)F)cc(C(=O)O)c1O
InChIInChI=1S/C8H6F3NO5/c1-16-6-5(13)3(7(14)15)2-4(12-6)17-8(9,10)11/h2,13H,1H3,(H,14,15)
InChIKeyXABIRJXQYWLVBJ-UHFFFAOYSA-N
XLogP1.39
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130112262
4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118828873
4-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679479
6-(bromomethyl)-3-hydroxy-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134665868
5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134678140
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
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134675816
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
2-iodo-3-nitro-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134678317
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134668164

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 134677673) is 3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid is COc1nc(OC(F)(F)F)cc(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is XABIRJXQYWLVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO5/c1-16-6-5(13)3(7(14)15)2-4(12-6)17-8(9,10)11/h2,13H,1H3,(H,14,15).
What are the key properties of 3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid has a molecular weight of 253.13 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 134677673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).