(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone

C11H13BrN2O2 — CID 103752337

IUPAC(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cccnc1Br
InChIInChI=1S/C11H13BrN2O2/c1-8-7-16-6-5-14(8)11(15)9-3-2-4-13-10(9)12/h2-4,8H,5-7H2,1H3
InChIKeyHGTUHORUANRORZ-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.71
Rot. Bonds1

About (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone

(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 103752337) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
PubChem CID103752337
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cccnc1Br
InChIInChI=1S/C11H13BrN2O2/c1-8-7-16-6-5-14(8)11(15)9-3-2-4-13-10(9)12/h2-4,8H,5-7H2,1H3
InChIKeyHGTUHORUANRORZ-UHFFFAOYSA-N
XLogP1.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.71
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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Related Compounds

[2-(methylamino)-3-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 62168003
(2-hydrazinyl-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 62243394
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
2-[(3S)-3-methylmorpholine-4-carbonyl]benzonitrile
CID 130179782
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524
(2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 103755536
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94334907
(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103752604
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
(2-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755683
(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 84577108

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone (CID 103752337) is (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1cccnc1Br.
What is the InChIKey of (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is HGTUHORUANRORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-8-7-16-6-5-14(8)11(15)9-3-2-4-13-10(9)12/h2-4,8H,5-7H2,1H3.
What are the key properties of (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone?
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 285.14 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 103752337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).