(2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine

C11H12BrN3O — CID 124518613

IUPAC(2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine
SMILESBrc1cccc2c([C@@H]3CNCCO3)ncn12
InChIInChI=1S/C11H12BrN3O/c12-10-3-1-2-8-11(14-7-15(8)10)9-6-13-4-5-16-9/h1-3,7,9,13H,4-6H2/t9-/m0/s1
InChIKeyPMXWITXTQKAMSR-VIFPVBQESA-N
MW282.14 g/mol
LogP1.76
Rot. Bonds1

About (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine

(2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine (PubChem CID 124518613) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine
PubChem CID124518613
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name(2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine
SMILESBrc1cccc2c([C@@H]3CNCCO3)ncn12
InChIInChI=1S/C11H12BrN3O/c12-10-3-1-2-8-11(14-7-15(8)10)9-6-13-4-5-16-9/h1-3,7,9,13H,4-6H2/t9-/m0/s1
InChIKeyPMXWITXTQKAMSR-VIFPVBQESA-N
XLogP1.76
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-1-methylindazol-4-yl)morpholine
CID 117477160
(2-morpholin-2-yl-3-pyridinyl) hypobromite
CID 151320641
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
azane;2-phenylmorpholine
CID 174664757
2-pyridin-2-ylmorpholine
CID 19353403
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722
2-(1,4-dimethylpyrazol-3-yl)morpholine
CID 131585478
2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)morpholine
CID 105477187
(2S)-2-(furan-2-yl)morpholine
CID 42182763
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
(2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine
CID 171653490
2-(3-chloro-1-methylindazol-5-yl)morpholine
CID 117382717

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine?
The IUPAC name of (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine (CID 124518613) is (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine.
What is the SMILES notation for (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine?
The canonical SMILES for (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine is Brc1cccc2c([C@@H]3CNCCO3)ncn12.
What is the InChIKey of (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine?
The InChIKey is PMXWITXTQKAMSR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-10-3-1-2-8-11(14-7-15(8)10)9-6-13-4-5-16-9/h1-3,7,9,13H,4-6H2/t9-/m0/s1.
What are the key properties of (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine?
(2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine has a molecular weight of 282.14 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromoimidazo[1,5-a]pyridin-1-yl)morpholine is sourced from PubChem (CID 124518613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).