6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid

C15H12F3NO3 — CID 155153909

IUPAC6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)ccc1OCc1cccc(C(=O)O)n1
InChIInChI=1S/C15H12F3NO3/c1-9-7-10(15(16,17)18)5-6-13(9)22-8-11-3-2-4-12(19-11)14(20)21/h2-7H,8H2,1H3,(H,20,21)
InChIKeyLHPDDWLCXCWCSN-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.69
Rot. Bonds4

About 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid

6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid (PubChem CID 155153909) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
PubChem CID155153909
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)ccc1OCc1cccc(C(=O)O)n1
InChIInChI=1S/C15H12F3NO3/c1-9-7-10(15(16,17)18)5-6-13(9)22-8-11-3-2-4-12(19-11)14(20)21/h2-7H,8H2,1H3,(H,20,21)
InChIKeyLHPDDWLCXCWCSN-UHFFFAOYSA-N
XLogP3.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid (CID 155153909) is 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid is Cc1cc(C(F)(F)F)ccc1OCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The InChIKey is LHPDDWLCXCWCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-9-7-10(15(16,17)18)5-6-13(9)22-8-11-3-2-4-12(19-11)14(20)21/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid has a molecular weight of 311.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 155153909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).