4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine

C12H17BrN2O — CID 105367772

IUPAC4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine
SMILESCc1cnc(N2CCOCC2(C)C)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9-6-10(13)11(14-7-9)15-4-5-16-8-12(15,2)3/h6-7H,4-5,8H2,1-3H3
InChIKeySFIFWGOUVKVISM-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.77
Rot. Bonds1

About 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine

4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine (PubChem CID 105367772) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine
PubChem CID105367772
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine
SMILESCc1cnc(N2CCOCC2(C)C)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9-6-10(13)11(14-7-9)15-4-5-16-8-12(15,2)3/h6-7H,4-5,8H2,1-3H3
InChIKeySFIFWGOUVKVISM-UHFFFAOYSA-N
XLogP2.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine?
The IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine (CID 105367772) is 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine?
The canonical SMILES for 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine is Cc1cnc(N2CCOCC2(C)C)c(Br)c1.
What is the InChIKey of 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine?
The InChIKey is SFIFWGOUVKVISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-6-10(13)11(14-7-9)15-4-5-16-8-12(15,2)3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine?
4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine has a molecular weight of 285.19 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine is sourced from PubChem (CID 105367772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).