tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate

C15H21BrN2O3 — CID 118485004

IUPACtert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate
SMILESCc1cc(Br)cnc1C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C15H21BrN2O3/c1-10-7-11(16)8-17-13(10)12-9-18(5-6-20-12)14(19)21-15(2,3)4/h7-8,12H,5-6,9H2,1-4H3
InChIKeyYWELFNXMMQAEMV-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.46
Rot. Bonds1

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

tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate (PubChem CID 118485004) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate
PubChem CID118485004
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Nametert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate
SMILESCc1cc(Br)cnc1C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C15H21BrN2O3/c1-10-7-11(16)8-17-13(10)12-9-18(5-6-20-12)14(19)21-15(2,3)4/h7-8,12H,5-6,9H2,1-4H3
InChIKeyYWELFNXMMQAEMV-UHFFFAOYSA-N
XLogP3.46
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 138985889
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl 2-[(4-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567737
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
CID 124564337

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate (CID 118485004) is tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate is Cc1cc(Br)cnc1C1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate?
The InChIKey is YWELFNXMMQAEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-10-7-11(16)8-17-13(10)12-9-18(5-6-20-12)14(19)21-15(2,3)4/h7-8,12H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate?
tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate has a molecular weight of 357.25 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate is sourced from PubChem (CID 118485004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).