2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol

C12H6Cl3F3N2O — CID 21466295

IUPAC2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol
SMILESOc1c(Cl)cc(Nc2ncc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C12H6Cl3F3N2O/c13-7-2-6(3-8(14)10(7)21)20-11-9(15)1-5(4-19-11)12(16,17)18/h1-4,21H,(H,19,20)
InChIKeyXGZNQAPPGXZJCV-UHFFFAOYSA-N
MW357.55 g/mol
LogP5.51
Rot. Bonds2

About 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol

2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol (PubChem CID 21466295) has the molecular formula C12H6Cl3F3N2O and a molecular weight of 357.55 g/mol. Its IUPAC name is 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol
PubChem CID21466295
Molecular FormulaC12H6Cl3F3N2O
Molecular Weight357.55 g/mol
Exact Mass355.95
IUPAC Name2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol
SMILESOc1c(Cl)cc(Nc2ncc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C12H6Cl3F3N2O/c13-7-2-6(3-8(14)10(7)21)20-11-9(15)1-5(4-19-11)12(16,17)18/h1-4,21H,(H,19,20)
InChIKeyXGZNQAPPGXZJCV-UHFFFAOYSA-N
XLogP5.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.55
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol?
The IUPAC name of 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol (CID 21466295) is 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol is Oc1c(Cl)cc(Nc2ncc(C(F)(F)F)cc2Cl)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol?
The InChIKey is XGZNQAPPGXZJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3F3N2O/c13-7-2-6(3-8(14)10(7)21)20-11-9(15)1-5(4-19-11)12(16,17)18/h1-4,21H,(H,19,20).
What are the key properties of 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol?
2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol has a molecular weight of 357.55 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol is sourced from PubChem (CID 21466295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).