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

C20H11F3N2O5 — CID 66818709

IUPAC6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Oc2ccc(C(=O)O)c(Oc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H11F3N2O5/c21-20(22,23)30-15-7-5-14(6-8-15)29-18-16(19(26)27)9-10-17(25-18)28-13-3-1-12(11-24)2-4-13/h1-10H,(H,26,27)
InChIKeyAFVBVFLTWWCHQK-UHFFFAOYSA-N
MW416.31 g/mol
LogP5.13
Rot. Bonds6

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

6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid (PubChem CID 66818709) has the molecular formula C20H11F3N2O5 and a molecular weight of 416.31 g/mol. Its IUPAC name is 6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid
PubChem CID66818709
Molecular FormulaC20H11F3N2O5
Molecular Weight416.31 g/mol
Exact Mass416.06
IUPAC Name6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Oc2ccc(C(=O)O)c(Oc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H11F3N2O5/c21-20(22,23)30-15-7-5-14(6-8-15)29-18-16(19(26)27)9-10-17(25-18)28-13-3-1-12(11-24)2-4-13/h1-10H,(H,26,27)
InChIKeyAFVBVFLTWWCHQK-UHFFFAOYSA-N
XLogP5.13
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.31
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid (CID 66818709) is 6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid is N#Cc1ccc(Oc2ccc(C(=O)O)c(Oc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is AFVBVFLTWWCHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N2O5/c21-20(22,23)30-15-7-5-14(6-8-15)29-18-16(19(26)27)9-10-17(25-18)28-13-3-1-12(11-24)2-4-13/h1-10H,(H,26,27).
What are the key properties of 6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid?
6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid has a molecular weight of 416.31 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 66818709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).