(2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine

C11H15BrN2O — CID 87428069

IUPAC(2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine
SMILESCC1CN(c2cccc(Br)n2)C[C@H](C)O1
InChIInChI=1S/C11H15BrN2O/c1-8-6-14(7-9(2)15-8)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyOMHYHPZGWPNZOV-IENPIDJESA-N
MW271.16 g/mol
LogP2.46
Rot. Bonds1

About (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine

(2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine (PubChem CID 87428069) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine
PubChem CID87428069
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine
SMILESCC1CN(c2cccc(Br)n2)C[C@H](C)O1
InChIInChI=1S/C11H15BrN2O/c1-8-6-14(7-9(2)15-8)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyOMHYHPZGWPNZOV-IENPIDJESA-N
XLogP2.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.46
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 (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine (CID 87428069) is (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine is CC1CN(c2cccc(Br)n2)C[C@H](C)O1.
What is the InChIKey of (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine?
The InChIKey is OMHYHPZGWPNZOV-IENPIDJESA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-6-14(7-9(2)15-8)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine?
(2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine has a molecular weight of 271.16 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 87428069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).