4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine

C10H12Cl2N2O — CID 130344630

IUPAC4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine
SMILESCC1COCCN1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H12Cl2N2O/c1-7-6-15-3-2-14(7)8-4-9(11)13-10(12)5-8/h4-5,7H,2-3,6H2,1H3
InChIKeySOHNHMPRMJKRJT-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.61
Rot. Bonds1

About 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine

4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine (PubChem CID 130344630) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine
PubChem CID130344630
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine
SMILESCC1COCCN1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H12Cl2N2O/c1-7-6-15-3-2-14(7)8-4-9(11)13-10(12)5-8/h4-5,7H,2-3,6H2,1H3
InChIKeySOHNHMPRMJKRJT-UHFFFAOYSA-N
XLogP2.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.61
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 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine?
The IUPAC name of 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine (CID 130344630) is 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine.
What is the SMILES notation for 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine?
The canonical SMILES for 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine is CC1COCCN1c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine?
The InChIKey is SOHNHMPRMJKRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-7-6-15-3-2-14(7)8-4-9(11)13-10(12)5-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine?
4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine has a molecular weight of 247.12 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine is sourced from PubChem (CID 130344630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).