5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

C13H7ClF3NO3 — CID 66330074

IUPAC5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H7ClF3NO3/c14-8-1-2-10(9(6-8)12(19)20)21-11-5-7(3-4-18-11)13(15,16)17/h1-6H,(H,19,20)
InChIKeyKSPSYBIJKITQCD-UHFFFAOYSA-N
MW317.65 g/mol
LogP4.24
Rot. Bonds3

About 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (PubChem CID 66330074) has the molecular formula C13H7ClF3NO3 and a molecular weight of 317.65 g/mol. Its IUPAC name is 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
PubChem CID66330074
Molecular FormulaC13H7ClF3NO3
Molecular Weight317.65 g/mol
Exact Mass317.01
IUPAC Name5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H7ClF3NO3/c14-8-1-2-10(9(6-8)12(19)20)21-11-5-7(3-4-18-11)13(15,16)17/h1-6H,(H,19,20)
InChIKeyKSPSYBIJKITQCD-UHFFFAOYSA-N
XLogP4.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid
CID 81443299
1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid
CID 139934902
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733253
5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
CID 61395721
5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 66330854
5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid
CID 63591158
5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid
CID 167055994
5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
CID 167714402
5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649327
2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 83235033
5-chloro-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]benzoic acid
CID 66282154

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The IUPAC name of 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (CID 66330074) is 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is O=C(O)c1cc(Cl)ccc1Oc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The InChIKey is KSPSYBIJKITQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO3/c14-8-1-2-10(9(6-8)12(19)20)21-11-5-7(3-4-18-11)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid has a molecular weight of 317.65 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 66330074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).