tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate

C14H19FN2O2 — CID 146204566

IUPACtert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)nc2)C1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-7-6-11(9-17)10-4-5-12(15)16-8-10/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyFWECRVZYEMQTJS-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.95
Rot. Bonds1

About tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate

tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate (PubChem CID 146204566) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
PubChem CID146204566
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Nametert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)nc2)C1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-7-6-11(9-17)10-4-5-12(15)16-8-10/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyFWECRVZYEMQTJS-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
CID 58315636
tert-butyl 3-[4-(dimethylamino)phenyl]pyrrolidine-1-carboxylate
CID 151030118
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl (3R)-3-(2,3,6-trifluorophenyl)pyrrolidine-1-carboxylate
CID 174955976
tert-butyl (3S)-3-(4-isocyanatophenyl)pyrrolidine-1-carboxylate
CID 87320464

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate (CID 146204566) is tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(F)nc2)C1.
What is the InChIKey of tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate?
The InChIKey is FWECRVZYEMQTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-7-6-11(9-17)10-4-5-12(15)16-8-10/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 146204566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).