2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C8H8ClF3N2O — CID 57368737

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H8ClF3N2O/c9-6-3-5(8(10,11)12)4-7(14-6)13-1-2-15/h3-4,15H,1-2H2,(H,13,14)
InChIKeyAFDCSMWCEAIQGK-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.16
Rot. Bonds3

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 57368737) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID57368737
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H8ClF3N2O/c9-6-3-5(8(10,11)12)4-7(14-6)13-1-2-15/h3-4,15H,1-2H2,(H,13,14)
InChIKeyAFDCSMWCEAIQGK-UHFFFAOYSA-N
XLogP2.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 57368737) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is OCCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is AFDCSMWCEAIQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c9-6-3-5(8(10,11)12)4-7(14-6)13-1-2-15/h3-4,15H,1-2H2,(H,13,14).
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 240.61 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 57368737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).