1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone

C17H17ClN2O2 — CID 58315544

IUPAC1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C17H17ClN2O2/c18-17-6-5-14(10-20-17)15(21)9-12-1-3-13(4-2-12)16-11-19-7-8-22-16/h1-6,10,16,19H,7-9,11H2/t16-/m0/s1
InChIKeyGNRXKGVZTPEUNX-INIZCTEOSA-N
MW316.79 g/mol
LogP2.82
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone

1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone (PubChem CID 58315544) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
PubChem CID58315544
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C17H17ClN2O2/c18-17-6-5-14(10-20-17)15(21)9-12-1-3-13(4-2-12)16-11-19-7-8-22-16/h1-6,10,16,19H,7-9,11H2/t16-/m0/s1
InChIKeyGNRXKGVZTPEUNX-INIZCTEOSA-N
XLogP2.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315714
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
CID 58315539
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
CID 160959790
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160713811
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)propan-2-one
CID 58315659
3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile
CID 159609526
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone
CID 158428533

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone (CID 58315544) is 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone is O=C(Cc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone?
The InChIKey is GNRXKGVZTPEUNX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-17-6-5-14(10-20-17)15(21)9-12-1-3-13(4-2-12)16-11-19-7-8-22-16/h1-6,10,16,19H,7-9,11H2/t16-/m0/s1.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone?
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone has a molecular weight of 316.79 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone is sourced from PubChem (CID 58315544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).