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

C14H10F3NO4 — CID 22923886

IUPAC3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-10-5-3-9(4-6-10)8-21-11-2-1-7-18-12(11)13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyVVNVHXAHPZNCQB-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.26
Rot. Bonds5

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

3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid (PubChem CID 22923886) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
PubChem CID22923886
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-10-5-3-9(4-6-10)8-21-11-2-1-7-18-12(11)13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyVVNVHXAHPZNCQB-UHFFFAOYSA-N
XLogP3.26
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid (CID 22923886) is 3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
The InChIKey is VVNVHXAHPZNCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c15-14(16,17)22-10-5-3-9(4-6-10)8-21-11-2-1-7-18-12(11)13(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid has a molecular weight of 313.23 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 22923886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).