2-(5-bromo-2-pyridinyl)-4-methylmorpholine

C10H13BrN2O — CID 66509867

IUPAC2-(5-bromo-2-pyridinyl)-4-methylmorpholine
SMILESCN1CCOC(c2ccc(Br)cn2)C1
InChIInChI=1S/C10H13BrN2O/c1-13-4-5-14-10(7-13)9-3-2-8(11)6-12-9/h2-3,6,10H,4-5,7H2,1H3
InChIKeyTWNWAPRLMUNILV-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.85
Rot. Bonds1

About 2-(5-bromo-2-pyridinyl)-4-methylmorpholine

2-(5-bromo-2-pyridinyl)-4-methylmorpholine (PubChem CID 66509867) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-4-methylmorpholine
PubChem CID66509867
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-(5-bromo-2-pyridinyl)-4-methylmorpholine
SMILESCN1CCOC(c2ccc(Br)cn2)C1
InChIInChI=1S/C10H13BrN2O/c1-13-4-5-14-10(7-13)9-3-2-8(11)6-12-9/h2-3,6,10H,4-5,7H2,1H3
InChIKeyTWNWAPRLMUNILV-UHFFFAOYSA-N
XLogP1.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-4-methylmorpholine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-4-methylmorpholine (CID 66509867) is 2-(5-bromo-2-pyridinyl)-4-methylmorpholine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-4-methylmorpholine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-4-methylmorpholine is CN1CCOC(c2ccc(Br)cn2)C1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-4-methylmorpholine?
The InChIKey is TWNWAPRLMUNILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-13-4-5-14-10(7-13)9-3-2-8(11)6-12-9/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-4-methylmorpholine?
2-(5-bromo-2-pyridinyl)-4-methylmorpholine has a molecular weight of 257.13 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-4-methylmorpholine is sourced from PubChem (CID 66509867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).