2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone

C11H13ClN2O — CID 14619396

IUPAC2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CCl)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C11H13ClN2O/c12-7-11(15)14-6-2-4-10(14)9-3-1-5-13-8-9/h1,3,5,8,10H,2,4,6-7H2/t10-/m1/s1
InChIKeyXIDVCNGNCVUJHD-SNVBAGLBSA-N
MW224.69 g/mol
LogP1.98
Rot. Bonds2

About 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone

2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone (PubChem CID 14619396) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
PubChem CID14619396
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CCl)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C11H13ClN2O/c12-7-11(15)14-6-2-4-10(14)9-3-1-5-13-8-9/h1,3,5,8,10H,2,4,6-7H2/t10-/m1/s1
InChIKeyXIDVCNGNCVUJHD-SNVBAGLBSA-N
XLogP1.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
CID 110871568
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
CID 65302628
4-(propan-2-ylamino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 60850960
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone (CID 14619396) is 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone is O=C(CCl)N1CCC[C@@H]1c1cccnc1.
What is the InChIKey of 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone?
The InChIKey is XIDVCNGNCVUJHD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-7-11(15)14-6-2-4-10(14)9-3-1-5-13-8-9/h1,3,5,8,10H,2,4,6-7H2/t10-/m1/s1.
What are the key properties of 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone?
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone has a molecular weight of 224.69 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 14619396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).