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

C10H12Cl2N2O — CID 130344724

IUPAC(3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(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/t7-/m1/s1
InChIKeySOHNHMPRMJKRJT-SSDOTTSWSA-N
MW247.12 g/mol
LogP2.61
Rot. Bonds1

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

(3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine (PubChem CID 130344724) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is (3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine
PubChem CID130344724
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name(3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(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/t7-/m1/s1
InChIKeySOHNHMPRMJKRJT-SSDOTTSWSA-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 (3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine?
The IUPAC name of (3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine (CID 130344724) is (3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine.
What is the SMILES notation for (3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine?
The canonical SMILES for (3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine is C[C@@H]1COCCN1c1cc(Cl)nc(Cl)c1.
What is the InChIKey of (3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine?
The InChIKey is SOHNHMPRMJKRJT-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine?
(3R)-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 (3R)-4-(2,6-dichloro-4-pyridinyl)-3-methylmorpholine is sourced from PubChem (CID 130344724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).