4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine

C12H17BrN2O — CID 170065390

IUPAC4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine
SMILESCCc1nc(Br)cc(C)c1N1CCOCC1
InChIInChI=1S/C12H17BrN2O/c1-3-10-12(9(2)8-11(13)14-10)15-4-6-16-7-5-15/h8H,3-7H2,1-2H3
InChIKeySJUBMQSIWGTBBO-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.55
Rot. Bonds2

About 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine

4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine (PubChem CID 170065390) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine
PubChem CID170065390
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine
SMILESCCc1nc(Br)cc(C)c1N1CCOCC1
InChIInChI=1S/C12H17BrN2O/c1-3-10-12(9(2)8-11(13)14-10)15-4-6-16-7-5-15/h8H,3-7H2,1-2H3
InChIKeySJUBMQSIWGTBBO-UHFFFAOYSA-N
XLogP2.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-methyl-4-morpholin-4-ylaniline
CID 50879612
4-[4-(6-ethyl-5-methyl-2-pyridinyl)phenyl]morpholine
CID 121495176
4-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 131724211
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
4-(3-bromo-5-ethylphenyl)morpholine
CID 155289670
4-(3,6-dimethyl-2-pyridinyl)morpholine
CID 135214290
CID 174749027
CID 174749027
4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine
CID 126486040
4-(6-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)morpholine
CID 169077602
2-(4,6-diethyl-2-morpholin-4-ylpyrimidin-5-yl)ethanamine
CID 79220434
2-ethyl-6-methyl-4-morpholin-4-ylaniline
CID 83707293
2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde
CID 83896605

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine?
The IUPAC name of 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine (CID 170065390) is 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine.
What is the SMILES notation for 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine?
The canonical SMILES for 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine is CCc1nc(Br)cc(C)c1N1CCOCC1.
What is the InChIKey of 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine?
The InChIKey is SJUBMQSIWGTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-10-12(9(2)8-11(13)14-10)15-4-6-16-7-5-15/h8H,3-7H2,1-2H3.
What are the key properties of 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine?
4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine has a molecular weight of 285.18 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine is sourced from PubChem (CID 170065390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).