(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C13H16Cl2N2O2 — CID 114918341

IUPAC(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)ncc2Cl)CC(C)(C)O1
InChIInChI=1S/C13H16Cl2N2O2/c1-8-6-17(7-13(2,3)19-8)12(18)9-4-11(15)16-5-10(9)14/h4-5,8H,6-7H2,1-3H3
InChIKeyWKNGMNCOODXHSD-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.03
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 114918341) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID114918341
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)ncc2Cl)CC(C)(C)O1
InChIInChI=1S/C13H16Cl2N2O2/c1-8-6-17(7-13(2,3)19-8)12(18)9-4-11(15)16-5-10(9)14/h4-5,8H,6-7H2,1-3H3
InChIKeyWKNGMNCOODXHSD-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648286
(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668644
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114918451
[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174797
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48689999
(3-chloro-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 79831111
(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 114917004
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114344244
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62511546
[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174798
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 114918341) is (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(Cl)ncc2Cl)CC(C)(C)O1.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is WKNGMNCOODXHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8-6-17(7-13(2,3)19-8)12(18)9-4-11(15)16-5-10(9)14/h4-5,8H,6-7H2,1-3H3.
What are the key properties of (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 303.19 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 114918341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).