(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone

C12H15BrN2O2 — CID 103752604

IUPAC(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cccnc1Br
InChIInChI=1S/C12H15BrN2O2/c1-12(2)8-17-7-6-15(12)11(16)9-4-3-5-14-10(9)13/h3-5H,6-8H2,1-2H3
InChIKeyJHRLYSKUFDKCCF-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.10
Rot. Bonds1

About (2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone

(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 103752604) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID103752604
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cccnc1Br
InChIInChI=1S/C12H15BrN2O2/c1-12(2)8-17-7-6-15(12)11(16)9-4-3-5-14-10(9)13/h3-5H,6-8H2,1-2H3
InChIKeyJHRLYSKUFDKCCF-UHFFFAOYSA-N
XLogP2.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.10
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 (2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 103752604) is (2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone is CC1(C)COCCN1C(=O)c1cccnc1Br.
What is the InChIKey of (2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is JHRLYSKUFDKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-12(2)8-17-7-6-15(12)11(16)9-4-3-5-14-10(9)13/h3-5H,6-8H2,1-2H3.
What are the key properties of (2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone?
(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 299.17 g/mol, XLogP of 2.10, 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)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 103752604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).