3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid

C15H12F3NO4 — CID 22923883

IUPAC3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO4/c16-15(17,18)9-23-11-5-3-10(4-6-11)8-22-12-2-1-7-19-13(12)14(20)21/h1-7H,8-9H2,(H,20,21)
InChIKeyZIDGJPFQYYOZRC-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.30
Rot. Bonds6

About 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid

3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid (PubChem CID 22923883) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
PubChem CID22923883
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Name3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO4/c16-15(17,18)9-23-11-5-3-10(4-6-11)8-22-12-2-1-7-19-13(12)14(20)21/h1-7H,8-9H2,(H,20,21)
InChIKeyZIDGJPFQYYOZRC-UHFFFAOYSA-N
XLogP3.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid (CID 22923883) is 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
The InChIKey is ZIDGJPFQYYOZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c16-15(17,18)9-23-11-5-3-10(4-6-11)8-22-12-2-1-7-19-13(12)14(20)21/h1-7H,8-9H2,(H,20,21).
What are the key properties of 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid has a molecular weight of 327.26 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 22923883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).