tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate

C13H19FN2O4 — CID 155173285

IUPACtert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(O)c1ccc(F)cn1
InChIInChI=1S/C13H19FN2O4/c1-13(2,3)20-12(19)16-10(7-17)11(18)9-5-4-8(14)6-15-9/h4-6,10-11,17-18H,7H2,1-3H3,(H,16,19)
InChIKeyXPIOFDZLURXWCS-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.14
Rot. Bonds4

About tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate

tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate (PubChem CID 155173285) has the molecular formula C13H19FN2O4 and a molecular weight of 286.30 g/mol. Its IUPAC name is tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate
PubChem CID155173285
Molecular FormulaC13H19FN2O4
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Nametert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(O)c1ccc(F)cn1
InChIInChI=1S/C13H19FN2O4/c1-13(2,3)20-12(19)16-10(7-17)11(18)9-5-4-8(14)6-15-9/h4-6,10-11,17-18H,7H2,1-3H3,(H,16,19)
InChIKeyXPIOFDZLURXWCS-UHFFFAOYSA-N
XLogP1.14
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1,3-dihydroxy-1-thiophen-2-ylpropan-2-yl)carbamate
CID 75586810
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133
tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 103894808
tert-butyl N-[2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 104955582
tert-butyl N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[5-(2-phenylethyl)-2-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(3,5-difluorophenyl)-3-oxopropan-2-yl]carbamate
CID 158111641
tert-butyl N-[3-(5-bromo-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833174
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104855208
tert-butyl N-[(E)-4-[1-(5-fluoro-2-pyridinyl)propylamino]but-2-enyl]carbamate
CID 107252920
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877149
tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
CID 124909096
(1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol
CID 135302857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate (CID 155173285) is tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CO)C(O)c1ccc(F)cn1.
What is the InChIKey of tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate?
The InChIKey is XPIOFDZLURXWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4/c1-13(2,3)20-12(19)16-10(7-17)11(18)9-5-4-8(14)6-15-9/h4-6,10-11,17-18H,7H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate?
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate has a molecular weight of 286.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate is sourced from PubChem (CID 155173285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).