2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate

C13H15FN2O3 — CID 71987835

IUPAC2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
SMILESO=C(OCCF)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C13H15FN2O3/c14-6-9-19-13(18)11-5-3-4-10(15-11)12(17)16-7-1-2-8-16/h3-5H,1-2,6-9H2
InChIKeyFXMZKXMVPSQESG-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.44
Rot. Bonds4

About 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate

2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate (PubChem CID 71987835) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
PubChem CID71987835
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
SMILESO=C(OCCF)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C13H15FN2O3/c14-6-9-19-13(18)11-5-3-4-10(15-11)12(17)16-7-1-2-8-16/h3-5H,1-2,6-9H2
InChIKeyFXMZKXMVPSQESG-UHFFFAOYSA-N
XLogP1.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
The IUPAC name of 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate (CID 71987835) is 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate is O=C(OCCF)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
The InChIKey is FXMZKXMVPSQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-6-9-19-13(18)11-5-3-4-10(15-11)12(17)16-7-1-2-8-16/h3-5H,1-2,6-9H2.
What are the key properties of 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate has a molecular weight of 266.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 71987835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).