2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

C13H6Cl2F3NO3 — CID 176902739

IUPAC2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(O)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H6Cl2F3NO3/c14-9-2-1-7(4-8(9)12(20)21)22-11-10(15)3-6(5-19-11)13(16,17)18/h1-5H,(H,20,21)
InChIKeyOOIDGWIHXFUMOH-UHFFFAOYSA-N
MW352.10 g/mol
LogP4.90
Rot. Bonds3

About 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (PubChem CID 176902739) has the molecular formula C13H6Cl2F3NO3 and a molecular weight of 352.10 g/mol. Its IUPAC name is 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
PubChem CID176902739
Molecular FormulaC13H6Cl2F3NO3
Molecular Weight352.10 g/mol
Exact Mass350.97
IUPAC Name2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(O)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H6Cl2F3NO3/c14-9-2-1-7(4-8(9)12(20)21)22-11-10(15)3-6(5-19-11)13(16,17)18/h1-5H,(H,20,21)
InChIKeyOOIDGWIHXFUMOH-UHFFFAOYSA-N
XLogP4.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propaneperoxoate
CID 22070374
[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-(trifluoromethyl)benzoate
CID 3706522
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfanylphenol
CID 139697363
5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-chlorobenzoic acid
CID 57194158

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The IUPAC name of 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (CID 176902739) is 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is O=C(O)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The InChIKey is OOIDGWIHXFUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3NO3/c14-9-2-1-7(4-8(9)12(20)21)22-11-10(15)3-6(5-19-11)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid has a molecular weight of 352.10 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 176902739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).