4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

C13H7ClF3NO3 — CID 61396049

IUPAC4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C13H7ClF3NO3/c14-7-3-4-8(12(19)20)10(6-7)21-11-9(13(15,16)17)2-1-5-18-11/h1-6H,(H,19,20)
InChIKeyVZPXSYJZQDRTIY-UHFFFAOYSA-N
MW317.65 g/mol
LogP4.24
Rot. Bonds3

About 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (PubChem CID 61396049) has the molecular formula C13H7ClF3NO3 and a molecular weight of 317.65 g/mol. Its IUPAC name is 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
PubChem CID61396049
Molecular FormulaC13H7ClF3NO3
Molecular Weight317.65 g/mol
Exact Mass317.01
IUPAC Name4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C13H7ClF3NO3/c14-7-3-4-8(12(19)20)10(6-7)21-11-9(13(15,16)17)2-1-5-18-11/h1-6H,(H,19,20)
InChIKeyVZPXSYJZQDRTIY-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

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Related Compounds

4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 62304327
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61395439
5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733253
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
2-[(5-chloropyridine-2-carbonyl)-propan-2-ylamino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 42599063
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
4-chloro-2-quinolin-4-yloxybenzoic acid
CID 61395926
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-4-chlorobenzoic acid
CID 105368501
2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 143819371

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (CID 61396049) is 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is O=C(O)c1ccc(Cl)cc1Oc1ncccc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The InChIKey is VZPXSYJZQDRTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO3/c14-7-3-4-8(12(19)20)10(6-7)21-11-9(13(15,16)17)2-1-5-18-11/h1-6H,(H,19,20).
What are the key properties of 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
4-chloro-2-[[3-(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 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 61396049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).