(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone

C11H12Cl2N2O2 — CID 172648286

IUPAC(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(Cl)ncc2Cl)CCO1
InChIInChI=1S/C11H12Cl2N2O2/c1-7-6-15(2-3-17-7)11(16)8-4-10(13)14-5-9(8)12/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyCZBFWQKDYZIAKY-SSDOTTSWSA-N
MW275.13 g/mol
LogP2.25
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone

(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 172648286) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID172648286
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(Cl)ncc2Cl)CCO1
InChIInChI=1S/C11H12Cl2N2O2/c1-7-6-15(2-3-17-7)11(16)8-4-10(13)14-5-9(8)12/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyCZBFWQKDYZIAKY-SSDOTTSWSA-N
XLogP2.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.25
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)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114918341
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668644
(2,5-dichloro-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 114918455
(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 114917004
(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone
CID 172648288
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 47459227
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114918451
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114917996
(5-bromo-2-fluoro-4-pyridinyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647405
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114918468
(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 114917342

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone (CID 172648286) is (2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cc(Cl)ncc2Cl)CCO1.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is CZBFWQKDYZIAKY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-7-6-15(2-3-17-7)11(16)8-4-10(13)14-5-9(8)12/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of (2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 275.13 g/mol, XLogP of 2.25, 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)-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 172648286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).