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

C12H5Cl3F3NO2 — CID 15376296

IUPAC3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
SMILESOc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl3F3NO2/c13-7-2-6(20)3-8(14)10(7)21-11-9(15)1-5(4-19-11)12(16,17)18/h1-4,20H
InChIKeyCVWJSMQKAYCXEQ-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.56
Rot. Bonds2

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

3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol (PubChem CID 15376296) has the molecular formula C12H5Cl3F3NO2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
PubChem CID15376296
Molecular FormulaC12H5Cl3F3NO2
Molecular Weight358.53 g/mol
Exact Mass356.93
IUPAC Name3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
SMILESOc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl3F3NO2/c13-7-2-6(20)3-8(14)10(7)21-11-9(15)1-5(4-19-11)12(16,17)18/h1-4,20H
InChIKeyCVWJSMQKAYCXEQ-UHFFFAOYSA-N
XLogP5.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol (CID 15376296) is 3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol is Oc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The InChIKey is CVWJSMQKAYCXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO2/c13-7-2-6(20)3-8(14)10(7)21-11-9(15)1-5(4-19-11)12(16,17)18/h1-4,20H.
What are the key properties of 3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol has a molecular weight of 358.53 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 15376296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).