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

C14H19FN2O2 — CID 129371703

IUPACtert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCN(c2ncccc2F)C1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)10-6-8-17(9-10)12-11(15)5-4-7-16-12/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m1/s1
InChIKeyVPQZBNWNGKWJQI-SNVBAGLBSA-N
MW266.32 g/mol
LogP2.39
Rot. Bonds2

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

tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate (PubChem CID 129371703) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
PubChem CID129371703
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Nametert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCN(c2ncccc2F)C1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)10-6-8-17(9-10)12-11(15)5-4-7-16-12/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m1/s1
InChIKeyVPQZBNWNGKWJQI-SNVBAGLBSA-N
XLogP2.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
tert-butyl 4-(3-fluoro-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 171323898
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263
tert-butyl 5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 172906255
tert-butyl 1-(4-aminophenyl)pyrrolidine-3-carboxylate
CID 142654201
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603345
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
tert-butyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate
CID 171061967
N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172899385

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate (CID 129371703) is tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCN(c2ncccc2F)C1.
What is the InChIKey of tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate?
The InChIKey is VPQZBNWNGKWJQI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)10-6-8-17(9-10)12-11(15)5-4-7-16-12/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate?
tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 129371703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).