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

C12H7Cl2F3N2O — CID 174367563

IUPAC2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol
SMILESOc1ccc(Nc2ncc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F3N2O/c13-8-4-7(1-2-10(8)20)19-11-9(14)3-6(5-18-11)12(15,16)17/h1-5,20H,(H,18,19)
InChIKeyUELMIIVJKSVPEO-UHFFFAOYSA-N
MW323.10 g/mol
LogP4.86
Rot. Bonds2

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

2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol (PubChem CID 174367563) has the molecular formula C12H7Cl2F3N2O and a molecular weight of 323.10 g/mol. Its IUPAC name is 2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol
PubChem CID174367563
Molecular FormulaC12H7Cl2F3N2O
Molecular Weight323.10 g/mol
Exact Mass321.99
IUPAC Name2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol
SMILESOc1ccc(Nc2ncc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F3N2O/c13-8-4-7(1-2-10(8)20)19-11-9(14)3-6(5-18-11)12(15,16)17/h1-5,20H,(H,18,19)
InChIKeyUELMIIVJKSVPEO-UHFFFAOYSA-N
XLogP4.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.10
LogP ≤ 54.86
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-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol?
The IUPAC name of 2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol (CID 174367563) is 2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol.
What is the SMILES notation for 2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol?
The canonical SMILES for 2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol is Oc1ccc(Nc2ncc(C(F)(F)F)cc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol?
The InChIKey is UELMIIVJKSVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O/c13-8-4-7(1-2-10(8)20)19-11-9(14)3-6(5-18-11)12(15,16)17/h1-5,20H,(H,18,19).
What are the key properties of 2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol?
2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol has a molecular weight of 323.10 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]phenol is sourced from PubChem (CID 174367563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).