2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one

C12H14ClFN2O2 — CID 172882207

IUPAC2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C12H14ClFN2O2/c1-8(13)12(17)16-6-5-9(7-16)18-11-4-2-3-10(14)15-11/h2-4,8-9H,5-7H2,1H3
InChIKeyARBOFSBASXGQSR-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.83
Rot. Bonds3

About 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one

2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one (PubChem CID 172882207) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
PubChem CID172882207
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C12H14ClFN2O2/c1-8(13)12(17)16-6-5-9(7-16)18-11-4-2-3-10(14)15-11/h2-4,8-9H,5-7H2,1H3
InChIKeyARBOFSBASXGQSR-UHFFFAOYSA-N
XLogP1.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893
2-ethoxy-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 172882241
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 172882287
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172882481
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 171999583
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 171704720
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550
5-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 172905000
1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 178201856
3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 172882430
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251
2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine
CID 172904774

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one (CID 172882207) is 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one is CC(Cl)C(=O)N1CCC(Oc2cccc(F)n2)C1.
What is the InChIKey of 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one?
The InChIKey is ARBOFSBASXGQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c1-8(13)12(17)16-6-5-9(7-16)18-11-4-2-3-10(14)15-11/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one?
2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one has a molecular weight of 272.71 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 172882207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).