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1210419-26-3 molecular structure
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methyl 6-bromo-5-fluoropyridine-2-carboxylate

ChemBase ID: 98497
Molecular Formular: C7H5BrFNO2
Molecular Mass: 234.0225032
Monoisotopic Mass: 232.94876863
SMILES and InChIs

SMILES:
n1c(c(ccc1C(=O)OC)F)Br
Canonical SMILES:
COC(=O)c1ccc(c(n1)Br)F
InChI:
InChI=1S/C7H5BrFNO2/c1-12-7(11)5-3-2-4(9)6(8)10-5/h2-3H,1H3
InChIKey:
AYMMPTHLFMQVFH-UHFFFAOYSA-N

Cite this record

CBID:98497 http://www.chembase.cn/molecule-98497.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 6-bromo-5-fluoropyridine-2-carboxylate
IUPAC Traditional name
methyl 6-bromo-5-fluoropyridine-2-carboxylate
Synonyms
Methyl 6-bromo-5-fluoropicolinate
2-Bromo-3-fluoro-6-(methoxycarbonyl)pyridine
Methyl 6-bromo-5-fluoropyridine-2-carboxylate
CAS Number
1210419-26-3
PubChem SID
162084917
PubChem CID
46311204

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC57015 external link Add to cart Please log in.
Data Source Data ID
PubChem 46311204 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0618773  LogD (pH = 7.4) 2.0618773 
Log P 2.0618773  Molar Refractivity 44.2358 cm3
Polarizability 16.788511 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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