4-[3-(3-bromo-2-pyridinyl)propyl]morpholine

C12H17BrN2O — CID 170871440

IUPAC4-[3-(3-bromo-2-pyridinyl)propyl]morpholine
SMILESBrc1cccnc1CCCN1CCOCC1
InChIInChI=1S/C12H17BrN2O/c13-11-3-1-5-14-12(11)4-2-6-15-7-9-16-10-8-15/h1,3,5H,2,4,6-10H2
InChIKeyZMXNSSYLOOMNRA-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.11
Rot. Bonds4

About 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine

4-[3-(3-bromo-2-pyridinyl)propyl]morpholine (PubChem CID 170871440) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-bromo-2-pyridinyl)propyl]morpholine
PubChem CID170871440
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name4-[3-(3-bromo-2-pyridinyl)propyl]morpholine
SMILESBrc1cccnc1CCCN1CCOCC1
InChIInChI=1S/C12H17BrN2O/c13-11-3-1-5-14-12(11)4-2-6-15-7-9-16-10-8-15/h1,3,5H,2,4,6-10H2
InChIKeyZMXNSSYLOOMNRA-UHFFFAOYSA-N
XLogP2.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine?
The IUPAC name of 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine (CID 170871440) is 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine is Brc1cccnc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine?
The InChIKey is ZMXNSSYLOOMNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-3-1-5-14-12(11)4-2-6-15-7-9-16-10-8-15/h1,3,5H,2,4,6-10H2.
What are the key properties of 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine?
4-[3-(3-bromo-2-pyridinyl)propyl]morpholine has a molecular weight of 285.18 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromo-2-pyridinyl)propyl]morpholine is sourced from PubChem (CID 170871440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).