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

C10H13BrN2O — CID 16748392

IUPAC4-(5-bromo-3-methyl-2-pyridinyl)morpholine
SMILESCc1cc(Br)cnc1N1CCOCC1
InChIInChI=1S/C10H13BrN2O/c1-8-6-9(11)7-12-10(8)13-2-4-14-5-3-13/h6-7H,2-5H2,1H3
InChIKeyACLZPQWHEFDNBU-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.99
Rot. Bonds1

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

4-(5-bromo-3-methyl-2-pyridinyl)morpholine (PubChem CID 16748392) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-(5-bromo-3-methyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-3-methyl-2-pyridinyl)morpholine
PubChem CID16748392
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name4-(5-bromo-3-methyl-2-pyridinyl)morpholine
SMILESCc1cc(Br)cnc1N1CCOCC1
InChIInChI=1S/C10H13BrN2O/c1-8-6-9(11)7-12-10(8)13-2-4-14-5-3-13/h6-7H,2-5H2,1H3
InChIKeyACLZPQWHEFDNBU-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methyl-2-pyridinyl)morpholine?
The IUPAC name of 4-(5-bromo-3-methyl-2-pyridinyl)morpholine (CID 16748392) is 4-(5-bromo-3-methyl-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(5-bromo-3-methyl-2-pyridinyl)morpholine?
The canonical SMILES for 4-(5-bromo-3-methyl-2-pyridinyl)morpholine is Cc1cc(Br)cnc1N1CCOCC1.
What is the InChIKey of 4-(5-bromo-3-methyl-2-pyridinyl)morpholine?
The InChIKey is ACLZPQWHEFDNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-8-6-9(11)7-12-10(8)13-2-4-14-5-3-13/h6-7H,2-5H2,1H3.
What are the key properties of 4-(5-bromo-3-methyl-2-pyridinyl)morpholine?
4-(5-bromo-3-methyl-2-pyridinyl)morpholine has a molecular weight of 257.13 g/mol, XLogP of 1.99, 1 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)morpholine is sourced from PubChem (CID 16748392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).