(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine

C9H10Br2N2O — CID 131118655

IUPAC(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine
SMILESBrc1cc([C@H]2COCCN2)cnc1Br
InChIInChI=1S/C9H10Br2N2O/c10-7-3-6(4-13-9(7)11)8-5-14-2-1-12-8/h3-4,8,12H,1-2,5H2/t8-/m1/s1
InChIKeyQQANYDLYAXPZRM-MRVPVSSYSA-N
MW322.00 g/mol
LogP2.27
Rot. Bonds1

About (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine

(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine (PubChem CID 131118655) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine
PubChem CID131118655
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC Name(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine
SMILESBrc1cc([C@H]2COCCN2)cnc1Br
InChIInChI=1S/C9H10Br2N2O/c10-7-3-6(4-13-9(7)11)8-5-14-2-1-12-8/h3-4,8,12H,1-2,5H2/t8-/m1/s1
InChIKeyQQANYDLYAXPZRM-MRVPVSSYSA-N
XLogP2.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
3-(3,5-dibromophenyl)morpholine
CID 126971173
(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine
CID 130647727
(3S)-3-(3-bromo-4-chlorophenyl)morpholine
CID 130748628
(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948
(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine
CID 118888705
N,N-dimethyl-5-morpholin-3-ylpyridin-2-amine
CID 130021696
(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171193179
(3R)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171192647
2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
3-(5-bromo-1,3-thiazol-2-yl)morpholine
CID 83693202

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine?
The IUPAC name of (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine (CID 131118655) is (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine.
What is the SMILES notation for (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine?
The canonical SMILES for (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine is Brc1cc([C@H]2COCCN2)cnc1Br.
What is the InChIKey of (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine?
The InChIKey is QQANYDLYAXPZRM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10Br2N2O/c10-7-3-6(4-13-9(7)11)8-5-14-2-1-12-8/h3-4,8,12H,1-2,5H2/t8-/m1/s1.
What are the key properties of (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine?
(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine has a molecular weight of 322.00 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5,6-dibromo-3-pyridinyl)morpholine is sourced from PubChem (CID 131118655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).