(3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine

C20H27Br3N4O2 — CID 158303952

IUPAC(3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine
SMILESBrc1ccc(Br)nc1.C[C@@H]1COCCN1.C[C@@H]1COCCN1c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2O.C5H3Br2N.C5H11NO/c1-8-7-14-5-4-13(8)10-3-2-9(11)6-12-10;6-4-1-2-5(7)8-3-4;1-5-4-7-3-2-6-5/h2-3,6,8H,4-5,7H2,1H3;1-3H;5-6H,2-4H2,1H3/t8-;;5-/m1.1/s1
InChIKeyGMVPHNUBMOXLJA-CCTYUYMJSA-N
MW595.17 g/mol
LogP4.67
Rot. Bonds1

About (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine

(3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine (PubChem CID 158303952) has the molecular formula C20H27Br3N4O2 and a molecular weight of 595.17 g/mol. Its IUPAC name is (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine
PubChem CID158303952
Molecular FormulaC20H27Br3N4O2
Molecular Weight595.17 g/mol
Exact Mass591.97
IUPAC Name(3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine
SMILESBrc1ccc(Br)nc1.C[C@@H]1COCCN1.C[C@@H]1COCCN1c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2O.C5H3Br2N.C5H11NO/c1-8-7-14-5-4-13(8)10-3-2-9(11)6-12-10;6-4-1-2-5(7)8-3-4;1-5-4-7-3-2-6-5/h2-3,6,8H,4-5,7H2,1H3;1-3H;5-6H,2-4H2,1H3/t8-;;5-/m1.1/s1
InChIKeyGMVPHNUBMOXLJA-CCTYUYMJSA-N
XLogP4.67
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.17
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine with MolForge

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Related Compounds

1-(5-Bromo-2-pyridyl)-3-(2-morpholinoethyl)thiourea
CID 3001930
4-(5-Bromopyridin-2-yl)morpholine
CID 10966724
[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 38274995
1-(5-Bromo-pyridin-2-yl)-3-morpholin-4-ylmethyl-thiourea
CID 44287853
5-Bromo-(2-morpholinoethylamino)pyridine
CID 23438259
4-(3-Bromopyridin-2-yl)morpholine
CID 16414232
N-(5-bromo-2-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide
CID 33714004
4-[[1-(5-Bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine
CID 71978112
5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 75514222
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 128543191
5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine
CID 163265444
bis(1-methyl-N-(3-morpholin-4-ylpropyl)pyridin-1-ium-2-amine);iodide;hydrochloride
CID 126456700

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine?
The IUPAC name of (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine (CID 158303952) is (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine.
What is the SMILES notation for (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine?
The canonical SMILES for (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine is Brc1ccc(Br)nc1.C[C@@H]1COCCN1.C[C@@H]1COCCN1c1ccc(Br)cn1.
What is the InChIKey of (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine?
The InChIKey is GMVPHNUBMOXLJA-CCTYUYMJSA-N. The full InChI is InChI=1S/C10H13BrN2O.C5H3Br2N.C5H11NO/c1-8-7-14-5-4-13(8)10-3-2-9(11)6-12-10;6-4-1-2-5(7)8-3-4;1-5-4-7-3-2-6-5/h2-3,6,8H,4-5,7H2,1H3;1-3H;5-6H,2-4H2,1H3/t8-;;5-/m1.1/s1.
What are the key properties of (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine?
(3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine has a molecular weight of 595.17 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine is sourced from PubChem (CID 158303952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).