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119308-57-5 molecular structure
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methyl 2,6-dibromopyridine-4-carboxylate

ChemBase ID: 78305
Molecular Formular: C7H5Br2NO2
Molecular Mass: 294.9281
Monoisotopic Mass: 292.86870241
SMILES and InChIs

SMILES:
n1c(cc(cc1Br)C(=O)OC)Br
Canonical SMILES:
COC(=O)c1cc(Br)nc(c1)Br
InChI:
InChI=1S/C7H5Br2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3
InChIKey:
XGHFPTMUVIDZNF-UHFFFAOYSA-N

Cite this record

CBID:78305 http://www.chembase.cn/molecule-78305.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2,6-dibromopyridine-4-carboxylate
IUPAC Traditional name
methyl 2,6-dibromopyridine-4-carboxylate
Synonyms
Methyl 2,6-dibromopyridine-4-carboxylate
2,6-Dibromo-4-(methoxycarbonyl)pyridine
Methyl 2,6-dibromoisonicotinate
CAS Number
119308-57-5
MDL Number
MFCD11042543
PubChem SID
162043077
PubChem CID
19261659

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR18036 external link Add to cart Please log in.
Data Source Data ID
PubChem 19261659 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7075996  LogD (pH = 7.4) 2.7075996 
Log P 2.7075996  Molar Refractivity 52.8564 cm3
Polarizability 20.06619 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Light Sensitive/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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