methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate

C12H15BrN2O3 — CID 177178228

IUPACmethyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Br)c(N2CC(C)(OC)C2)n1
InChIInChI=1S/C12H15BrN2O3/c1-12(18-3)6-15(7-12)10-8(13)4-5-9(14-10)11(16)17-2/h4-5H,6-7H2,1-3H3
InChIKeySFEPWVMGGCKFIV-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.86
Rot. Bonds3

About methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate

methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate (PubChem CID 177178228) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate
PubChem CID177178228
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Namemethyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Br)c(N2CC(C)(OC)C2)n1
InChIInChI=1S/C12H15BrN2O3/c1-12(18-3)6-15(7-12)10-8(13)4-5-9(14-10)11(16)17-2/h4-5H,6-7H2,1-3H3
InChIKeySFEPWVMGGCKFIV-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 6-amino-3-bromopyridine-2-carboxylate
CID 10657127
Methyl 6-acetamido-5-bromopicolinate
CID 10612276
tert-Butyl [tert-butoxycarbonyl(6-ethoxycarbonylpyridin-2-yl)amino]acetate
CID 86672285
Methyl 6-amino-5-bromo-3-fluoropicolinate
CID 21873678
Methyl 3-bromo-6-(dimethylaminomethylideneamino)-5-fluoropyridine-2-carboxylate
CID 166460463
Methyl 6-amino-3-bromo-5-fluoropicolinate
CID 166460509
Methyl 5-fluoro-6-(methylamino)pyridine-2-carboxylate
CID 167289136
Methyl 5-bromo-6-(dimethylaminomethylideneamino)-3-fluoropyridine-2-carboxylate
CID 170547629
methyl 5-bromo-6-[(E)-dimethylaminomethylideneamino]-3-fluoropyridine-2-carboxylate
CID 171604140
Methyl 5-bromo-6-(4,4-difluoropiperidin-1-yl)pyridine-2-carboxylate
CID 176182419
Methyl 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-2-carboxylate
CID 176182421
Ethyl 6-(4,4-difluoropiperidin-1-yl)pyridine-2-carboxylate
CID 176182436

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate (CID 177178228) is methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate is COC(=O)c1ccc(Br)c(N2CC(C)(OC)C2)n1.
What is the InChIKey of methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate?
The InChIKey is SFEPWVMGGCKFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-12(18-3)6-15(7-12)10-8(13)4-5-9(14-10)11(16)17-2/h4-5H,6-7H2,1-3H3.
What are the key properties of methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate?
methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate has a molecular weight of 315.17 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 177178228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).