2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid

C14H10F3NO3 — CID 138394697

IUPAC2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid
SMILESO=C(O)c1ccccc1COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-6-3-7-12(18-11)21-8-9-4-1-2-5-10(9)13(19)20/h1-7H,8H2,(H,19,20)
InChIKeySCASTWHLUHBICN-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.38
Rot. Bonds4

About 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid

2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid (PubChem CID 138394697) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid
PubChem CID138394697
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid
SMILESO=C(O)c1ccccc1COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-6-3-7-12(18-11)21-8-9-4-1-2-5-10(9)13(19)20/h1-7H,8H2,(H,19,20)
InChIKeySCASTWHLUHBICN-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 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid?
The IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid (CID 138394697) is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid?
The canonical SMILES for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid is O=C(O)c1ccccc1COc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid?
The InChIKey is SCASTWHLUHBICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)11-6-3-7-12(18-11)21-8-9-4-1-2-5-10(9)13(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid?
2-[[6-(trifluoromethyl)-2-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 2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid is sourced from PubChem (CID 138394697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).