2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol

C12H7ClF3NO2 — CID 23053223

IUPAC2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol
SMILESOc1ccccc1Oc1c(Cl)cncc1C(F)(F)F
InChIInChI=1S/C12H7ClF3NO2/c13-8-6-17-5-7(12(14,15)16)11(8)19-10-4-2-1-3-9(10)18/h1-6,18H
InChIKeyIENZHQHCYAKSGQ-UHFFFAOYSA-N
MW289.64 g/mol
LogP4.25
Rot. Bonds2

About 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol

2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol (PubChem CID 23053223) has the molecular formula C12H7ClF3NO2 and a molecular weight of 289.64 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol
PubChem CID23053223
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64 g/mol
Exact Mass289.01
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol
SMILESOc1ccccc1Oc1c(Cl)cncc1C(F)(F)F
InChIInChI=1S/C12H7ClF3NO2/c13-8-6-17-5-7(12(14,15)16)11(8)19-10-4-2-1-3-9(10)18/h1-6,18H
InChIKeyIENZHQHCYAKSGQ-UHFFFAOYSA-N
XLogP4.25
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol (CID 23053223) is 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol is Oc1ccccc1Oc1c(Cl)cncc1C(F)(F)F.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol?
The InChIKey is IENZHQHCYAKSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2/c13-8-6-17-5-7(12(14,15)16)11(8)19-10-4-2-1-3-9(10)18/h1-6,18H.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol?
2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol has a molecular weight of 289.64 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol is sourced from PubChem (CID 23053223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).