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

C14H10F3NO3 — CID 22923870

IUPAC3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-4-1-3-9(7-10)8-21-11-5-2-6-18-12(11)13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyAAHLTJXMFNXYIO-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.38
Rot. Bonds4

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

3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid (PubChem CID 22923870) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
PubChem CID22923870
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-4-1-3-9(7-10)8-21-11-5-2-6-18-12(11)13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyAAHLTJXMFNXYIO-UHFFFAOYSA-N
XLogP3.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid (CID 22923870) is 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
The InChIKey is AAHLTJXMFNXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)10-4-1-3-9(7-10)8-21-11-5-2-6-18-12(11)13(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 22923870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).