6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid

C9H8F3NO4 — CID 134668164

IUPAC6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)O)c(OC(F)(F)F)c1C
InChIInChI=1S/C9H8F3NO4/c1-4-6(17-9(10,11)12)5(8(14)15)3-13-7(4)16-2/h3H,1-2H3,(H,14,15)
InChIKeyLUMDRQJECPVJCK-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.00
Rot. Bonds3

About 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid

6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 134668164) has the molecular formula C9H8F3NO4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID134668164
Molecular FormulaC9H8F3NO4
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Name6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)O)c(OC(F)(F)F)c1C
InChIInChI=1S/C9H8F3NO4/c1-4-6(17-9(10,11)12)5(8(14)15)3-13-7(4)16-2/h3H,1-2H3,(H,14,15)
InChIKeyLUMDRQJECPVJCK-UHFFFAOYSA-N
XLogP2.00
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134680069
4-(chloromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134669953
ethyl 5-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665016
ethyl 4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679427
3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665085
methyl 6-methoxy-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134663841
6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134680090
6-(chloromethyl)-5-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118832738
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
methyl 2-[4-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660761
3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134677673
5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134665255

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 134668164) is 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid is COc1ncc(C(=O)O)c(OC(F)(F)F)c1C.
What is the InChIKey of 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is LUMDRQJECPVJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4/c1-4-6(17-9(10,11)12)5(8(14)15)3-13-7(4)16-2/h3H,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 251.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 134668164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).