ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate

C12H15FN2O2 — CID 123284983

IUPACethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(F)C1
InChIInChI=1S/C12H15FN2O2/c1-2-17-12(16)10-4-3-6-14-11(10)15-7-5-9(13)8-15/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyDSUCZUASRSIJKD-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.81
Rot. Bonds3

About ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate

ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate (PubChem CID 123284983) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
PubChem CID123284983
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Nameethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(F)C1
InChIInChI=1S/C12H15FN2O2/c1-2-17-12(16)10-4-3-6-14-11(10)15-7-5-9(13)8-15/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyDSUCZUASRSIJKD-UHFFFAOYSA-N
XLogP1.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate
CID 133468930
ethyl 2-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133471190
ethyl 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 47082849
ethyl 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470034
ethyl 2-[(2R)-2-phenylmorpholin-4-yl]pyridine-3-carboxylate
CID 94179717
ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 99617166
ethyl 2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 97351945
ethyl 2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470322
ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 133469987
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188
ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 63309811

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate (CID 123284983) is ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1N1CCC(F)C1.
What is the InChIKey of ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate?
The InChIKey is DSUCZUASRSIJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-2-17-12(16)10-4-3-6-14-11(10)15-7-5-9(13)8-15/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate?
ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate has a molecular weight of 238.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 123284983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).