6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid

C9H8F3NO4 — CID 134668167

IUPAC6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(C)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO4/c1-4-3-5(8(14)15)13-7(16-2)6(4)17-9(10,11)12/h3H,1-2H3,(H,14,15)
InChIKeyNYSMSPMUWAZMDO-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.00
Rot. Bonds3

About 6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid

6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 134668167) has the molecular formula C9H8F3NO4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID134668167
Molecular FormulaC9H8F3NO4
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Name6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(C)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO4/c1-4-3-5(8(14)15)13-7(16-2)6(4)17-9(10,11)12/h3H,1-2H3,(H,14,15)
InChIKeyNYSMSPMUWAZMDO-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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 134668167) is 6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid is COc1nc(C(=O)O)cc(C)c1OC(F)(F)F.
What is the InChIKey of 6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is NYSMSPMUWAZMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4/c1-4-3-5(8(14)15)13-7(16-2)6(4)17-9(10,11)12/h3H,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-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-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 134668167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).