4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid

C14H10F3NO5 — CID 21249823

IUPAC4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid
SMILESCOc1cc(Oc2cccc(OC(F)(F)F)c2)nc(C(=O)O)c1
InChIInChI=1S/C14H10F3NO5/c1-21-10-6-11(13(19)20)18-12(7-10)22-8-3-2-4-9(5-8)23-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyJCWQBCVZXJOPKL-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.48
Rot. Bonds5

About 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid

4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid (PubChem CID 21249823) has the molecular formula C14H10F3NO5 and a molecular weight of 329.23 g/mol. Its IUPAC name is 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid
PubChem CID21249823
Molecular FormulaC14H10F3NO5
Molecular Weight329.23 g/mol
Exact Mass329.05
IUPAC Name4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid
SMILESCOc1cc(Oc2cccc(OC(F)(F)F)c2)nc(C(=O)O)c1
InChIInChI=1S/C14H10F3NO5/c1-21-10-6-11(13(19)20)18-12(7-10)22-8-3-2-4-9(5-8)23-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyJCWQBCVZXJOPKL-UHFFFAOYSA-N
XLogP3.48
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid (CID 21249823) is 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid is COc1cc(Oc2cccc(OC(F)(F)F)c2)nc(C(=O)O)c1.
What is the InChIKey of 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid?
The InChIKey is JCWQBCVZXJOPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO5/c1-21-10-6-11(13(19)20)18-12(7-10)22-8-3-2-4-9(5-8)23-14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid?
4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid has a molecular weight of 329.23 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 21249823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).