tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate

C14H19FN2O2 — CID 126492165

IUPACtert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-8-4-5-12(17)11-7-6-10(15)9-16-11/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyOWYODSMUMJHPBC-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate

tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate (PubChem CID 126492165) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
PubChem CID126492165
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Nametert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-8-4-5-12(17)11-7-6-10(15)9-16-11/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyOWYODSMUMJHPBC-UHFFFAOYSA-N
XLogP3.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4,4-difluoro-2-(5-fluoro-2-pyridinyl)piperidine-1-carboxylate
CID 138598319
tert-butyl (2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 86664582
tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 67470714
tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502
tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839
tert-butyl (2S)-2-[6-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
CID 53491590
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-(6-phenylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 118426415
tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
tert-butyl 5-bromo-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]imidazole-1-carboxylate
CID 58310114

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate (CID 126492165) is tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1ccc(F)cn1.
What is the InChIKey of tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate?
The InChIKey is OWYODSMUMJHPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-8-4-5-12(17)11-7-6-10(15)9-16-11/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 126492165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).