6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol

C11H15F3N2O2 — CID 78928506

IUPAC6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCOCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2/c1-8-2-3-10(17)9(16-8)6-15-4-5-18-7-11(12,13)14/h2-3,15,17H,4-7H2,1H3
InChIKeyHVZXMPBGYQIGSL-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.76
Rot. Bonds6

About 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol

6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol (PubChem CID 78928506) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol
PubChem CID78928506
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCOCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2/c1-8-2-3-10(17)9(16-8)6-15-4-5-18-7-11(12,13)14/h2-3,15,17H,4-7H2,1H3
InChIKeyHVZXMPBGYQIGSL-UHFFFAOYSA-N
XLogP1.76
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol (CID 78928506) is 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNCCOCC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol?
The InChIKey is HVZXMPBGYQIGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-8-2-3-10(17)9(16-8)6-15-4-5-18-7-11(12,13)14/h2-3,15,17H,4-7H2,1H3.
What are the key properties of 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol?
6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol has a molecular weight of 264.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 78928506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).