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

C15H16BrN3O — CID 148584758

IUPAC2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine
SMILESBrc1ccc(Cc2ccc(C3CNCCO3)cn2)nc1
InChIInChI=1S/C15H16BrN3O/c16-12-2-4-14(19-9-12)7-13-3-1-11(8-18-13)15-10-17-5-6-20-15/h1-4,8-9,15,17H,5-7,10H2
InChIKeyMZLUMUWQQKJORR-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.49
Rot. Bonds3

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

2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine (PubChem CID 148584758) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine
PubChem CID148584758
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine
SMILESBrc1ccc(Cc2ccc(C3CNCCO3)cn2)nc1
InChIInChI=1S/C15H16BrN3O/c16-12-2-4-14(19-9-12)7-13-3-1-11(8-18-13)15-10-17-5-6-20-15/h1-4,8-9,15,17H,5-7,10H2
InChIKeyMZLUMUWQQKJORR-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.49
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]-3-pyridinyl]morpholine?
The IUPAC name of 2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine (CID 148584758) is 2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine.
What is the SMILES notation for 2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine?
The canonical SMILES for 2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine is Brc1ccc(Cc2ccc(C3CNCCO3)cn2)nc1.
What is the InChIKey of 2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine?
The InChIKey is MZLUMUWQQKJORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-12-2-4-14(19-9-12)7-13-3-1-11(8-18-13)15-10-17-5-6-20-15/h1-4,8-9,15,17H,5-7,10H2.
What are the key properties of 2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine?
2-[6-[(5-bromo-2-pyridinyl)methyl]-3-pyridinyl]morpholine has a molecular weight of 334.22 g/mol, XLogP of 2.49, 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]-3-pyridinyl]morpholine is sourced from PubChem (CID 148584758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).