tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate

C15H21FN2O3 — CID 67470714

IUPACtert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCOc1ncc(F)cc1C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(19)18-7-5-6-12(18)11-8-10(16)9-17-13(11)20-4/h8-9,12H,5-7H2,1-4H3
InChIKeyIKODRLGZQIEITN-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate

tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate (PubChem CID 67470714) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
PubChem CID67470714
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nametert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCOc1ncc(F)cc1C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(19)18-7-5-6-12(18)11-8-10(16)9-17-13(11)20-4/h8-9,12H,5-7H2,1-4H3
InChIKeyIKODRLGZQIEITN-UHFFFAOYSA-N
XLogP3.30
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 86664582
tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542392
tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 115053100
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 126492165
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 2-(6-amino-4-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542790
tert-butyl 2-(2,3,6,7-tetramethoxyphenanthren-9-yl)pyrrolidine-1-carboxylate
CID 102166462
tert-butyl 2-(4-bromo-2-fluorophenyl)pyrrolidine-1-carboxylate
CID 53419955
tert-butyl (2R)-2-(2-bromo-5-methoxyphenyl)pyrrolidine-1-carboxylate
CID 124634931
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
tert-butyl 5-[[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pentanoate
CID 147781717

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate (CID 67470714) is tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate is COc1ncc(F)cc1C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate?
The InChIKey is IKODRLGZQIEITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(2,3)21-14(19)18-7-5-6-12(18)11-8-10(16)9-17-13(11)20-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate has a molecular weight of 296.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 67470714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).