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1196157-15-9 molecular structure
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tert-butyl N-(3-bromo-6-methoxypyridin-2-yl)carbamate

ChemBase ID: 814055
Molecular Formular: C11H15BrN2O3
Molecular Mass: 303.1524
Monoisotopic Mass: 302.02660435
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)c1nc(ccc1Br)OC
Canonical SMILES:
COc1ccc(c(n1)NC(=O)OC(C)(C)C)Br
InChI:
InChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(15)14-9-7(12)5-6-8(13-9)16-4/h5-6H,1-4H3,(H,13,14,15)
InChIKey:
MYRLOJIRDSJBRH-UHFFFAOYSA-N

Cite this record

CBID:814055 http://www.chembase.cn/molecule-814055.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(3-bromo-6-methoxypyridin-2-yl)carbamate
IUPAC Traditional name
tert-butyl N-(3-bromo-6-methoxypyridin-2-yl)carbamate
Synonyms
tert-butyl 3-bromo-6-methoxypyridin-2-ylcarbamate
CAS Number
1196157-15-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36189 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36189 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.568985  H Acceptors
H Donor LogD (pH = 5.5) 3.4665298 
LogD (pH = 7.4) 3.4665282  Log P 3.466531 
Molar Refractivity 68.9063 cm3 Polarizability 25.997953 Å3
Polar Surface Area 60.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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