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944900-06-5 molecular structure
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2-chloro-6-(trifluoromethyl)pyridine-3-carbaldehyde

ChemBase ID: 804251
Molecular Formular: C7H3ClF3NO
Molecular Mass: 209.5530296
Monoisotopic Mass: 208.98552606
SMILES and InChIs

SMILES:
c1c(c(nc(c1)C(F)(F)F)Cl)C=O
Canonical SMILES:
O=Cc1ccc(nc1Cl)C(F)(F)F
InChI:
InChI=1S/C7H3ClF3NO/c8-6-4(3-13)1-2-5(12-6)7(9,10)11/h1-3H
InChIKey:
XGRYCVUVCDXRIW-UHFFFAOYSA-N

Cite this record

CBID:804251 http://www.chembase.cn/molecule-804251.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-(trifluoromethyl)pyridine-3-carbaldehyde
IUPAC Traditional name
2-chloro-6-(trifluoromethyl)pyridine-3-carbaldehyde
Synonyms
2-CHLORO-6-(TRIFLUOROMETHYL)NICOTINALDEHYDE
CAS Number
944900-06-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21147 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21147 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) 2.5559964  LogD (pH = 7.4) 2.5559964 
Log P 2.5559964  Molar Refractivity 41.9529 cm3
Polarizability 14.779338 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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