2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine

C16H18BrN3O — CID 146927194

IUPAC2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine
SMILESCc1cc(C2CNCCO2)cnc1Cc1ccc(Br)cn1
InChIInChI=1S/C16H18BrN3O/c1-11-6-12(16-10-18-4-5-21-16)8-20-15(11)7-14-3-2-13(17)9-19-14/h2-3,6,8-9,16,18H,4-5,7,10H2,1H3
InChIKeyAEHPJHLTBYSCIE-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.80
Rot. Bonds3

About 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine

2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine (PubChem CID 146927194) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine.

Molecular Properties

Compound Name2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine
PubChem CID146927194
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine
SMILESCc1cc(C2CNCCO2)cnc1Cc1ccc(Br)cn1
InChIInChI=1S/C16H18BrN3O/c1-11-6-12(16-10-18-4-5-21-16)8-20-15(11)7-14-3-2-13(17)9-19-14/h2-3,6,8-9,16,18H,4-5,7,10H2,1H3
InChIKeyAEHPJHLTBYSCIE-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine?
The IUPAC name of 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine (CID 146927194) is 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine.
What is the SMILES notation for 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine?
The canonical SMILES for 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine is Cc1cc(C2CNCCO2)cnc1Cc1ccc(Br)cn1.
What is the InChIKey of 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine?
The InChIKey is AEHPJHLTBYSCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11-6-12(16-10-18-4-5-21-16)8-20-15(11)7-14-3-2-13(17)9-19-14/h2-3,6,8-9,16,18H,4-5,7,10H2,1H3.
What are the key properties of 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine?
2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine has a molecular weight of 348.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-bromo-2-pyridinyl)methyl]-5-methyl-3-pyridinyl]morpholine is sourced from PubChem (CID 146927194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).