methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate

C11H11FN2O3 — CID 168694749

IUPACmethyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc(F)nc2)C1
InChIInChI=1S/C11H11FN2O3/c1-17-11(16)7-4-10(15)14(6-7)8-2-3-9(12)13-5-8/h2-3,5,7H,4,6H2,1H3
InChIKeyWIDUAAABYIKCNY-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.75
Rot. Bonds2

About methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168694749) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168694749
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Namemethyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc(F)nc2)C1
InChIInChI=1S/C11H11FN2O3/c1-17-11(16)7-4-10(15)14(6-7)8-2-3-9(12)13-5-8/h2-3,5,7H,4,6H2,1H3
InChIKeyWIDUAAABYIKCNY-UHFFFAOYSA-N
XLogP0.75
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(6-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694752
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
methyl 1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693863
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 1-(5-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168695182
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
methyl 1-(3,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693604
methyl 1-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693266
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
CID 10446211

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate (CID 168694749) is methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccc(F)nc2)C1.
What is the InChIKey of methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WIDUAAABYIKCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-17-11(16)7-4-10(15)14(6-7)8-2-3-9(12)13-5-8/h2-3,5,7H,4,6H2,1H3.
What are the key properties of methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 238.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168694749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).