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

C14H9ClF3NO3 — CID 155153995

IUPAC4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)ccn1
InChIInChI=1S/C14H9ClF3NO3/c15-10-6-9(14(16,17)18)1-2-12(10)22-7-8-3-4-19-11(5-8)13(20)21/h1-6H,7H2,(H,20,21)
InChIKeyTYWNSULJZYOKCP-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.03
Rot. Bonds4

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

4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid (PubChem CID 155153995) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
PubChem CID155153995
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Name4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)ccn1
InChIInChI=1S/C14H9ClF3NO3/c15-10-6-9(14(16,17)18)1-2-12(10)22-7-8-3-4-19-11(5-8)13(20)21/h1-6H,7H2,(H,20,21)
InChIKeyTYWNSULJZYOKCP-UHFFFAOYSA-N
XLogP4.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid (CID 155153995) is 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid is O=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)ccn1.
What is the InChIKey of 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The InChIKey is TYWNSULJZYOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c15-10-6-9(14(16,17)18)1-2-12(10)22-7-8-3-4-19-11(5-8)13(20)21/h1-6H,7H2,(H,20,21).
What are the key properties of 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid has a molecular weight of 331.68 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 155153995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).