methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate

C12H15BrN2O3 — CID 115538633

IUPACmethyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncccc2Br)CCO1
InChIInChI=1S/C12H15BrN2O3/c1-17-11(16)7-9-8-15(5-6-18-9)12-10(13)3-2-4-14-12/h2-4,9H,5-8H2,1H3
InChIKeyNIGKDWCSFCYHSZ-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.61
Rot. Bonds3

About methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate

methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate (PubChem CID 115538633) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
PubChem CID115538633
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Namemethyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncccc2Br)CCO1
InChIInChI=1S/C12H15BrN2O3/c1-17-11(16)7-9-8-15(5-6-18-9)12-10(13)3-2-4-14-12/h2-4,9H,5-8H2,1H3
InChIKeyNIGKDWCSFCYHSZ-UHFFFAOYSA-N
XLogP1.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247
methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate
CID 71977884
methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
CID 79770872
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763
methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate
CID 79771135
methyl 2-(4-quinolin-2-ylmorpholin-2-yl)acetate
CID 79764299
methyl 2-[4-(2-bromo-4-nitrophenyl)morpholin-2-yl]acetate
CID 79764169
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
CID 104775122
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
CID 115538670
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate (CID 115538633) is methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2ncccc2Br)CCO1.
What is the InChIKey of methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate?
The InChIKey is NIGKDWCSFCYHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-17-11(16)7-9-8-15(5-6-18-9)12-10(13)3-2-4-14-12/h2-4,9H,5-8H2,1H3.
What are the key properties of methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate?
methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate has a molecular weight of 315.17 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115538633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).