[5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol

C13H21FN2O2 — CID 142465494

IUPAC[5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol
SMILESCN(CCOc1cnc(CO)c(F)c1)C(C)(C)C
InChIInChI=1S/C13H21FN2O2/c1-13(2,3)16(4)5-6-18-10-7-11(14)12(9-17)15-8-10/h7-8,17H,5-6,9H2,1-4H3
InChIKeyAMHOPUVOZZJGOV-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.82
Rot. Bonds5

About [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol

[5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol (PubChem CID 142465494) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol
PubChem CID142465494
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name[5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol
SMILESCN(CCOc1cnc(CO)c(F)c1)C(C)(C)C
InChIInChI=1S/C13H21FN2O2/c1-13(2,3)16(4)5-6-18-10-7-11(14)12(9-17)15-8-10/h7-8,17H,5-6,9H2,1-4H3
InChIKeyAMHOPUVOZZJGOV-UHFFFAOYSA-N
XLogP1.82
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol?
The IUPAC name of [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol (CID 142465494) is [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol is CN(CCOc1cnc(CO)c(F)c1)C(C)(C)C.
What is the InChIKey of [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol?
The InChIKey is AMHOPUVOZZJGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-13(2,3)16(4)5-6-18-10-7-11(14)12(9-17)15-8-10/h7-8,17H,5-6,9H2,1-4H3.
What are the key properties of [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol?
[5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol has a molecular weight of 256.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[tert-butyl(methyl)amino]ethoxy]-3-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 142465494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).