(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C11H13FN2O2 — CID 103860842

IUPAC(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cncc(F)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C11H13FN2O2/c12-9-4-8(5-13-6-9)11(16)14-3-1-2-10(14)7-15/h4-6,10,15H,1-3,7H2/t10-/m1/s1
InChIKeyFCDFZKHNYPLUKD-SNVBAGLBSA-N
MW224.23 g/mol
LogP0.82
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 103860842) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID103860842
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cncc(F)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C11H13FN2O2/c12-9-4-8(5-13-6-9)11(16)14-3-1-2-10(14)7-15/h4-6,10,15H,1-3,7H2/t10-/m1/s1
InChIKeyFCDFZKHNYPLUKD-SNVBAGLBSA-N
XLogP0.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
(5-fluoro-3-pyridinyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649427
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 104629891
3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 104785546
ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 115900329
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
(3-bromo-5-fluorophenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636147
2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115697992
1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 119052252
(2,6-dichloro-4-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955470

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 103860842) is (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1cncc(F)c1)N1CCC[C@@H]1CO.
What is the InChIKey of (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is FCDFZKHNYPLUKD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-9-4-8(5-13-6-9)11(16)14-3-1-2-10(14)7-15/h4-6,10,15H,1-3,7H2/t10-/m1/s1.
What are the key properties of (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 224.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 103860842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).