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

C11H13BrN2O3 — CID 104775122

IUPACmethyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ncccc1Br
InChIInChI=1S/C11H13BrN2O3/c1-16-11(15)9-7-17-6-5-14(9)10-8(12)3-2-4-13-10/h2-4,9H,5-7H2,1H3
InChIKeyRYYLEBKSBIJOLZ-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.22
Rot. Bonds2

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

methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate (PubChem CID 104775122) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
PubChem CID104775122
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Namemethyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ncccc1Br
InChIInChI=1S/C11H13BrN2O3/c1-16-11(15)9-7-17-6-5-14(9)10-8(12)3-2-4-13-10/h2-4,9H,5-7H2,1H3
InChIKeyRYYLEBKSBIJOLZ-UHFFFAOYSA-N
XLogP1.22
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate
CID 104774614
tert-butyl 4-(3-nitro-2-pyridinyl)morpholine-3-carboxylate
CID 126822865
methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate
CID 102626858
methyl 4-phthalazin-1-ylmorpholine-3-carboxylate
CID 104775256
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
CID 104775170
methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate
CID 104775327
methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate
CID 104775209
methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
CID 115538633
methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
CID 104774583

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate (CID 104775122) is methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1ncccc1Br.
What is the InChIKey of methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate?
The InChIKey is RYYLEBKSBIJOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-16-11(15)9-7-17-6-5-14(9)10-8(12)3-2-4-13-10/h2-4,9H,5-7H2,1H3.
What are the key properties of methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate?
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate has a molecular weight of 301.14 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate is sourced from PubChem (CID 104775122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).