2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C10H11Cl2F3N2O — CID 107479163

IUPAC2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccc(Cl)nc1Cl)CC(F)(F)F
InChIInChI=1S/C10H11Cl2F3N2O/c11-8-2-1-7(9(12)16-8)5-17(3-4-18)6-10(13,14)15/h1-2,18H,3-6H2
InChIKeyAPNCPKOTXXMWIE-UHFFFAOYSA-N
MW303.11 g/mol
LogP2.74
Rot. Bonds5

About 2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107479163) has the molecular formula C10H11Cl2F3N2O and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107479163
Molecular FormulaC10H11Cl2F3N2O
Molecular Weight303.11 g/mol
Exact Mass302.02
IUPAC Name2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccc(Cl)nc1Cl)CC(F)(F)F
InChIInChI=1S/C10H11Cl2F3N2O/c11-8-2-1-7(9(12)16-8)5-17(3-4-18)6-10(13,14)15/h1-2,18H,3-6H2
InChIKeyAPNCPKOTXXMWIE-UHFFFAOYSA-N
XLogP2.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 52.74
H-Bond Donors ≤ 51
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-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107479163) is 2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1ccc(Cl)nc1Cl)CC(F)(F)F.
What is the InChIKey of 2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is APNCPKOTXXMWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F3N2O/c11-8-2-1-7(9(12)16-8)5-17(3-4-18)6-10(13,14)15/h1-2,18H,3-6H2.
What are the key properties of 2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 303.11 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107479163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).