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1214328-96-7 molecular structure
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methyl 3-bromo-6-chloropyridine-2-carboxylate

ChemBase ID: 292499
Molecular Formular: C7H5BrClNO2
Molecular Mass: 250.4771
Monoisotopic Mass: 248.91921809
SMILES and InChIs

SMILES:
O=C(OC)c1nc(Cl)ccc1Br
Canonical SMILES:
COC(=O)c1nc(Cl)ccc1Br
InChI:
InChI=1S/C7H5BrClNO2/c1-12-7(11)6-4(8)2-3-5(9)10-6/h2-3H,1H3
InChIKey:
APCPBNNLVCVDPL-UHFFFAOYSA-N

Cite this record

CBID:292499 http://www.chembase.cn/molecule-292499.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-bromo-6-chloropyridine-2-carboxylate
IUPAC Traditional name
methyl 3-bromo-6-chloropyridine-2-carboxylate
Synonyms
Methyl 3-bromo-6-chloropicolinate
CAS Number
1214328-96-7
PubChem SID
180678030
PubChem CID
46311200

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241336 Please log in.
Data Source Data ID
PubChem 46311200 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5378752  LogD (pH = 7.4) 2.5378752 
Log P 2.5378752  Molar Refractivity 49.0433 cm3
Polarizability 18.8934 Å3 Polar Surface Area 39.19 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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