[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone

C10H11FN2O3 — CID 115498100

IUPAC[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11FN2O3/c11-9-3-1-2-6(12-9)10(16)13-4-7(14)8(15)5-13/h1-3,7-8,14-15H,4-5H2/t7-,8+
InChIKeyPISOOJOKFIMJPG-OCAPTIKFSA-N
MW226.21 g/mol
LogP-0.60
Rot. Bonds1

About [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone (PubChem CID 115498100) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
PubChem CID115498100
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11FN2O3/c11-9-3-1-2-6(12-9)10(16)13-4-7(14)8(15)5-13/h1-3,7-8,14-15H,4-5H2/t7-,8+
InChIKeyPISOOJOKFIMJPG-OCAPTIKFSA-N
XLogP-0.60
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 115496754
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
(6-fluoro-2-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 113323648
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115497426
(6-bromo-2-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103917023
(1,1-dioxo-1,4-thiazepan-4-yl)-(6-fluoro-2-pyridinyl)methanone
CID 113342783
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620
1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one
CID 115497588
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115497823
(6-fluoro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592943

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone?
The IUPAC name of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone (CID 115498100) is [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone is O=C(c1cccc(F)n1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone?
The InChIKey is PISOOJOKFIMJPG-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-9-3-1-2-6(12-9)10(16)13-4-7(14)8(15)5-13/h1-3,7-8,14-15H,4-5H2/t7-,8+.
What are the key properties of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone?
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone has a molecular weight of 226.21 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 115498100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).