(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone

C12H14Cl2N2O2 — CID 43421024

IUPAC(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnc(Cl)c(Cl)c2)C(C)CO1
InChIInChI=1S/C12H14Cl2N2O2/c1-7-6-18-8(2)5-16(7)12(17)9-3-10(13)11(14)15-4-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyQGVXCTUNSPYRNP-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.64
Rot. Bonds1

About (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone

(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 43421024) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID43421024
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnc(Cl)c(Cl)c2)C(C)CO1
InChIInChI=1S/C12H14Cl2N2O2/c1-7-6-18-8(2)5-16(7)12(17)9-3-10(13)11(14)15-4-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyQGVXCTUNSPYRNP-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 43421024) is (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cnc(Cl)c(Cl)c2)C(C)CO1.
What is the InChIKey of (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is QGVXCTUNSPYRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7-6-18-8(2)5-16(7)12(17)9-3-10(13)11(14)15-4-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 289.16 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43421024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).