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1214332-35-0 molecular structure
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ethyl 6-amino-3-bromopyridine-2-carboxylate

ChemBase ID: 290878
Molecular Formular: C8H9BrN2O2
Molecular Mass: 245.07326
Monoisotopic Mass: 243.98473954
SMILES and InChIs

SMILES:
O=C(OCC)c1nc(N)ccc1Br
Canonical SMILES:
CCOC(=O)c1nc(N)ccc1Br
InChI:
InChI=1S/C8H9BrN2O2/c1-2-13-8(12)7-5(9)3-4-6(10)11-7/h3-4H,2H2,1H3,(H2,10,11)
InChIKey:
WCFSXWLYTRSYEV-UHFFFAOYSA-N

Cite this record

CBID:290878 http://www.chembase.cn/molecule-290878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-amino-3-bromopyridine-2-carboxylate
IUPAC Traditional name
ethyl 6-amino-3-bromopyridine-2-carboxylate
Synonyms
Ethyl 6-amino-3-bromopicolinate
CAS Number
1214332-35-0
PubChem SID
180676409
PubChem CID
54759022

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230323 Please log in.
Data Source Data ID
PubChem 54759022 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8357233  LogD (pH = 7.4) 1.8359895 
Log P 1.8359928  Molar Refractivity 52.9397 cm3
Polarizability 19.815056 Å3 Polar Surface Area 65.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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