1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone

C13H17ClN2O — CID 95804801

IUPAC1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1CCc1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O/c1-10(17)16-8-2-3-12(16)6-4-11-5-7-13(14)15-9-11/h5,7,9,12H,2-4,6,8H2,1H3/t12-/m0/s1
InChIKeyRZYLWBFGFZEKGS-LBPRGKRZSA-N
MW252.74 g/mol
LogP2.68
Rot. Bonds3

About 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone (PubChem CID 95804801) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone
PubChem CID95804801
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1CCc1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O/c1-10(17)16-8-2-3-12(16)6-4-11-5-7-13(14)15-9-11/h5,7,9,12H,2-4,6,8H2,1H3/t12-/m0/s1
InChIKeyRZYLWBFGFZEKGS-LBPRGKRZSA-N
XLogP2.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4S)-4-[(6-chloro-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804799
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 66509847
1-[2-[2-(5-bromopyrazin-2-yl)ethyl]piperidin-1-yl]ethanone
CID 66509821
1-[(2R)-2-[1-[(6-chloro-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
CID 95127679
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
4-[5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl]-2-pyridinyl]benzoic acid
CID 175660612
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11718278
3-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
CID 18759786
(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55923674

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone (CID 95804801) is 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1CCc1ccc(Cl)nc1.
What is the InChIKey of 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone?
The InChIKey is RZYLWBFGFZEKGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-10(17)16-8-2-3-12(16)6-4-11-5-7-13(14)15-9-11/h5,7,9,12H,2-4,6,8H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone has a molecular weight of 252.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95804801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).