3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid

C14H10F3NO3 — CID 155154076

IUPAC3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid
SMILESO=C(O)c1cccc(COc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)12-5-4-11(7-18-12)21-8-9-2-1-3-10(6-9)13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyRFCKKBPDUWGNKU-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.38
Rot. Bonds4

About 3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid

3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid (PubChem CID 155154076) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid.

Molecular Properties

Compound Name3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid
PubChem CID155154076
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid
SMILESO=C(O)c1cccc(COc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)12-5-4-11(7-18-12)21-8-9-2-1-3-10(6-9)13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyRFCKKBPDUWGNKU-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-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid?
The IUPAC name of 3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid (CID 155154076) is 3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid.
What is the SMILES notation for 3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid?
The canonical SMILES for 3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid is O=C(O)c1cccc(COc2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid?
The InChIKey is RFCKKBPDUWGNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)12-5-4-11(7-18-12)21-8-9-2-1-3-10(6-9)13(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid?
3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic 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-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzoic acid is sourced from PubChem (CID 155154076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).