1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone

C13H17ClN2O3 — CID 119100246

IUPAC1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C13H17ClN2O3/c1-2-18-9-13(17)16-6-4-10(8-16)19-12-3-5-15-7-11(12)14/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyJNMONXIYYWPUJG-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.75
Rot. Bonds5

About 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone

1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone (PubChem CID 119100246) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
PubChem CID119100246
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C13H17ClN2O3/c1-2-18-9-13(17)16-6-4-10(8-16)19-12-3-5-15-7-11(12)14/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyJNMONXIYYWPUJG-UHFFFAOYSA-N
XLogP1.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
1-[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121017496
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122256241
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 121017511
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 122243477
4-bromo-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 122256280
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100261
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129354368

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone (CID 119100246) is 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone?
The InChIKey is JNMONXIYYWPUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-18-9-13(17)16-6-4-10(8-16)19-12-3-5-15-7-11(12)14/h3,5,7,10H,2,4,6,8-9H2,1H3.
What are the key properties of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone?
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone has a molecular weight of 284.74 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 119100246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).