4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine

C11H14BrClN2O — CID 81210904

IUPAC4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine
SMILESCc1cc(Br)cnc1N1CCOC(CCl)C1
InChIInChI=1S/C11H14BrClN2O/c1-8-4-9(12)6-14-11(8)15-2-3-16-10(5-13)7-15/h4,6,10H,2-3,5,7H2,1H3
InChIKeySCHKBGUANXDAQC-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.60
Rot. Bonds2

About 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine

4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine (PubChem CID 81210904) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine
PubChem CID81210904
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine
SMILESCc1cc(Br)cnc1N1CCOC(CCl)C1
InChIInChI=1S/C11H14BrClN2O/c1-8-4-9(12)6-14-11(8)15-2-3-16-10(5-13)7-15/h4,6,10H,2-3,5,7H2,1H3
InChIKeySCHKBGUANXDAQC-UHFFFAOYSA-N
XLogP2.60
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine?
The IUPAC name of 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine (CID 81210904) is 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine.
What is the SMILES notation for 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine?
The canonical SMILES for 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine is Cc1cc(Br)cnc1N1CCOC(CCl)C1.
What is the InChIKey of 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine?
The InChIKey is SCHKBGUANXDAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-8-4-9(12)6-14-11(8)15-2-3-16-10(5-13)7-15/h4,6,10H,2-3,5,7H2,1H3.
What are the key properties of 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine?
4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine has a molecular weight of 305.60 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine is sourced from PubChem (CID 81210904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).