tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate

C11H15BrN2O3 — CID 73010774

IUPACtert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
SMILESCOc1ncc(NC(=O)OC(C)(C)C)cc1Br
InChIInChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(15)14-7-5-8(12)9(16-4)13-6-7/h5-6H,1-4H3,(H,14,15)
InChIKeyNAHMSJHZPIKPLE-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.20
Rot. Bonds2

About tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate

tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate (PubChem CID 73010774) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
PubChem CID73010774
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Nametert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
SMILESCOc1ncc(NC(=O)OC(C)(C)C)cc1Br
InChIInChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(15)14-7-5-8(12)9(16-4)13-6-7/h5-6H,1-4H3,(H,14,15)
InChIKeyNAHMSJHZPIKPLE-UHFFFAOYSA-N
XLogP3.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-fluoro-6-methoxy-3-pyridinyl)carbamate;5-fluoro-6-methoxypyridin-3-amine;5-fluoro-6-methoxypyridine-3-carboxylic acid
CID 159607764
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 178148126
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-[3-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 57334481
tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155729088
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591
tert-butyl N-(6-acetyl-5-chloro-3-pyridinyl)carbamate
CID 140703879
tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate
CID 156572162
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate (CID 73010774) is tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate is COc1ncc(NC(=O)OC(C)(C)C)cc1Br.
What is the InChIKey of tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate?
The InChIKey is NAHMSJHZPIKPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(15)14-7-5-8(12)9(16-4)13-6-7/h5-6H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate?
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate has a molecular weight of 303.16 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate is sourced from PubChem (CID 73010774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).