ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate

C13H15FN2O3 — CID 115900329

IUPACethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-2-19-13(18)11-4-3-5-16(11)12(17)9-6-10(14)8-15-7-9/h6-8,11H,2-5H2,1H3
InChIKeyDTDAWLINKJETLT-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.39
Rot. Bonds3

About ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate

ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 115900329) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID115900329
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Nameethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-2-19-13(18)11-4-3-5-16(11)12(17)9-6-10(14)8-15-7-9/h6-8,11H,2-5H2,1H3
InChIKeyDTDAWLINKJETLT-UHFFFAOYSA-N
XLogP1.39
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
tert-butyl (2R)-1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 103774541
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
ethyl 1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 79693514
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584
(5-fluoro-3-pyridinyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649427
ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97314443
butyl 1-(3-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91711971
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 115900329) is ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)c1cncc(F)c1.
What is the InChIKey of ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is DTDAWLINKJETLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-2-19-13(18)11-4-3-5-16(11)12(17)9-6-10(14)8-15-7-9/h6-8,11H,2-5H2,1H3.
What are the key properties of ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate?
ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 266.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115900329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).