(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone

C11H12BrClN2O2 — CID 94334907

IUPAC(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H12BrClN2O2/c1-7-6-17-3-2-15(7)11(16)9-4-8(12)5-14-10(9)13/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyHBUQTGAMPGPRGL-SSDOTTSWSA-N
MW319.59 g/mol
LogP2.36
Rot. Bonds1

About (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone

(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 94334907) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.59 g/mol. Its IUPAC name is (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID94334907
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H12BrClN2O2/c1-7-6-17-3-2-15(7)11(16)9-4-8(12)5-14-10(9)13/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyHBUQTGAMPGPRGL-SSDOTTSWSA-N
XLogP2.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 52.36
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 (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone (CID 94334907) is (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone is C[C@@H]1COCCN1C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is HBUQTGAMPGPRGL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c1-7-6-17-3-2-15(7)11(16)9-4-8(12)5-14-10(9)13/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 319.59 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 94334907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).