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1060810-63-0 molecular structure
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4-bromo-6-(trifluoromethyl)pyridine-3-carbaldehyde

ChemBase ID: 814818
Molecular Formular: C7H3BrF3NO
Molecular Mass: 254.0040296
Monoisotopic Mass: 252.93501038
SMILES and InChIs

SMILES:
c1(c(cnc(c1)C(F)(F)F)C=O)Br
Canonical SMILES:
O=Cc1cnc(cc1Br)C(F)(F)F
InChI:
InChI=1S/C7H3BrF3NO/c8-5-1-6(7(9,10)11)12-2-4(5)3-13/h1-3H
InChIKey:
QVZVEWCPNLENSL-UHFFFAOYSA-N

Cite this record

CBID:814818 http://www.chembase.cn/molecule-814818.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-6-(trifluoromethyl)pyridine-3-carbaldehyde
IUPAC Traditional name
4-bromo-6-(trifluoromethyl)pyridine-3-carbaldehyde
Synonyms
4-bromo-6-(trifluoromethyl)nicotinaldehyde
CAS Number
1060810-63-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37048 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37048 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.500527  LogD (pH = 7.4) 2.5005271 
Log P 2.5005271  Molar Refractivity 43.7096 cm3
Polarizability 15.920715 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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