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

C18H16F3NO5 — CID 137406464

IUPAC4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2C)ncc1C(=O)O
InChIInChI=1S/C18H16F3NO5/c1-9-5-11(9)13-7-15(12(8-22-13)17(23)24)26-14-4-3-10(6-16(14)25-2)27-18(19,20)21/h3-4,6-9,11H,5H2,1-2H3,(H,23,24)
InChIKeySIDBBXLROQQUJH-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.60
Rot. Bonds6

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

4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid (PubChem CID 137406464) has the molecular formula C18H16F3NO5 and a molecular weight of 383.32 g/mol. Its IUPAC name is 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid
PubChem CID137406464
Molecular FormulaC18H16F3NO5
Molecular Weight383.32 g/mol
Exact Mass383.10
IUPAC Name4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2C)ncc1C(=O)O
InChIInChI=1S/C18H16F3NO5/c1-9-5-11(9)13-7-15(12(8-22-13)17(23)24)26-14-4-3-10(6-16(14)25-2)27-18(19,20)21/h3-4,6-9,11H,5H2,1-2H3,(H,23,24)
InChIKeySIDBBXLROQQUJH-UHFFFAOYSA-N
XLogP4.60
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid (CID 137406464) is 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid is COc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2C)ncc1C(=O)O.
What is the InChIKey of 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid?
The InChIKey is SIDBBXLROQQUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO5/c1-9-5-11(9)13-7-15(12(8-22-13)17(23)24)26-14-4-3-10(6-16(14)25-2)27-18(19,20)21/h3-4,6-9,11H,5H2,1-2H3,(H,23,24).
What are the key properties of 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid?
4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid has a molecular weight of 383.32 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 137406464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).