tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate

C13H19FN2O3 — CID 70827009

IUPACtert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C(F)CCO)ccn1
InChIInChI=1S/C13H19FN2O3/c1-13(2,3)19-12(18)16-11-8-9(4-6-15-11)10(14)5-7-17/h4,6,8,10,17H,5,7H2,1-3H3,(H,15,16,18)
InChIKeyRGGFUBCTTKDLGL-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate

tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate (PubChem CID 70827009) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate
PubChem CID70827009
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Nametert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C(F)CCO)ccn1
InChIInChI=1S/C13H19FN2O3/c1-13(2,3)19-12(18)16-11-8-9(4-6-15-11)10(14)5-7-17/h4,6,8,10,17H,5,7H2,1-3H3,(H,15,16,18)
InChIKeyRGGFUBCTTKDLGL-UHFFFAOYSA-N
XLogP2.82
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate (CID 70827009) is tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(C(F)CCO)ccn1.
What is the InChIKey of tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate?
The InChIKey is RGGFUBCTTKDLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-13(2,3)19-12(18)16-11-8-9(4-6-15-11)10(14)5-7-17/h4,6,8,10,17H,5,7H2,1-3H3,(H,15,16,18).
What are the key properties of tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate?
tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate has a molecular weight of 270.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-fluoro-3-hydroxypropyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 70827009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).