(3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate

C18H17FN2O3 — CID 71988281

IUPAC(3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
SMILESO=C(OCc1cccc(F)c1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H17FN2O3/c19-14-6-3-5-13(11-14)12-24-18(23)16-8-4-7-15(20-16)17(22)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2
InChIKeyUDEDFTFCLQIBIG-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.81
Rot. Bonds4

About (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate

(3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate (PubChem CID 71988281) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
PubChem CID71988281
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
SMILESO=C(OCc1cccc(F)c1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H17FN2O3/c19-14-6-3-5-13(11-14)12-24-18(23)16-8-4-7-15(20-16)17(22)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2
InChIKeyUDEDFTFCLQIBIG-UHFFFAOYSA-N
XLogP2.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate (CID 71988281) is (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate is O=C(OCc1cccc(F)c1)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
The InChIKey is UDEDFTFCLQIBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-6-3-5-13(11-14)12-24-18(23)16-8-4-7-15(20-16)17(22)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2.
What are the key properties of (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
(3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate has a molecular weight of 328.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 71988281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).