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

C12H14Cl2N2O2 — CID 43613155

IUPAC(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-8-7-18-6-5-16(8)12(17)11-9(13)3-4-10(14)15-11/h3-4,8H,2,5-7H2,1H3
InChIKeyDIRVCPJFOPJGHR-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.64
Rot. Bonds2

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

(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone (PubChem CID 43613155) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
PubChem CID43613155
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-8-7-18-6-5-16(8)12(17)11-9(13)3-4-10(14)15-11/h3-4,8H,2,5-7H2,1H3
InChIKeyDIRVCPJFOPJGHR-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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 (3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of (3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone (CID 43613155) is (3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of (3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is DIRVCPJFOPJGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-2-8-7-18-6-5-16(8)12(17)11-9(13)3-4-10(14)15-11/h3-4,8H,2,5-7H2,1H3.
What are the key properties of (3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 289.16 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43613155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).