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885267-36-7 molecular structure
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6-bromo-3-fluoropyridine-2-carbaldehyde

ChemBase ID: 99372
Molecular Formular: C6H3BrFNO
Molecular Mass: 203.9965232
Monoisotopic Mass: 202.93820394
SMILES and InChIs

SMILES:
n1c(ccc(c1C=O)F)Br
Canonical SMILES:
O=Cc1nc(Br)ccc1F
InChI:
InChI=1S/C6H3BrFNO/c7-6-2-1-4(8)5(3-10)9-6/h1-3H
InChIKey:
BFBRCFKSFRYJGE-UHFFFAOYSA-N

Cite this record

CBID:99372 http://www.chembase.cn/molecule-99372.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-3-fluoropyridine-2-carbaldehyde
IUPAC Traditional name
6-bromo-3-fluoropyridine-2-carbaldehyde
Synonyms
6-Bromo-3-fluoro-2-formylpyridine
6-Bromo-3-fluoropicolinaldehyde
6-Bromo-3-fluoropyridine-2-carboxaldehyde 98%
2-BROMO-5-FLUORO-6-FORMYLPYRIDINE
CAS Number
885267-36-7
MDL Number
MFCD07781224
PubChem SID
162085640
PubChem CID
16414238

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16414238 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2595954  LogD (pH = 7.4) 2.2595954 
Log P 2.2595954  Molar Refractivity 38.7813 cm3
Polarizability 14.215838 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
114-115°C expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Store under Argon expand Show data source
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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